UCSF

ZINC41587389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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
Ref Reference (pH 7) 3.80 6.84 -10.48 0 7 0 64 464.562 7
Mid Mid (pH 6-8) 3.80 9.71 -53.51 1 7 1 66 465.57 7
Mid Mid (pH 6-8) 3.80 9.1 -48.19 1 7 1 66 465.57 7
Lo Low (pH 4.5-6) 3.80 12 -127.08 2 7 2 67 466.578 7

Activity (Go SEA)

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