UCSF

ZINC33763724

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.97 11.48 -12.9 1 5 0 37 427.614 11
Mid Mid (pH 6-8) 3.97 13.75 -45.56 2 5 1 38 428.622 11

Activity (Go SEA)

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