UCSF

ZINC33386064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 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) 1.36 10.92 -69 1 8 1 85 476.648 7
Mid Mid (pH 6-8) 1.36 8.44 -16.68 0 8 0 84 475.64 7

Activity (Go SEA)

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