UCSF

ZINC25760528

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 31 No

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Annotations

None

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
Mid Mid (pH 6-8) -4.33 3.32 -392.52 1 18 -4 278 502.118 12
Lo Low (pH 4.5-6) -4.33 2.16 -250.65 2 18 -3 275 503.126 12

Activity (Go SEA)

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