UCSF

ZINC84681008

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2013 36 No

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Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.55 -11.46 -430.8 7 24 -5 415 654.99 12
Mid Mid (pH 6-8) -5.55 -5.64 -1503.42 2 24 -10 429 649.95 12
Mid Mid (pH 6-8) -5.55 -6.78 -1242.64 3 24 -9 426 650.958 12
Mid Mid (pH 6-8) -5.55 -5.64 -1508.46 2 24 -10 429 649.95 12
Mid Mid (pH 6-8) -5.55 -5.64 -1488.85 2 24 -10 429 649.95 12
Lo Low (pH 4.5-6) -5.55 -9.08 -781.87 5 24 -7 420 652.974 12
Lo Low (pH 4.5-6) -5.55 -10.22 -580.99 6 24 -6 418 653.982 12

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.