UCSF

ZINC08792386

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 32 No

Download: MOL2 SDF SMILES Flexibase

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) 4.95 11.65 -50 2 6 1 74 428.512 6
Mid Mid (pH 6-8) 4.95 11.22 -19.13 1 6 0 73 427.504 6

Activity (Go SEA)

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