UCSF

ZINC08719770

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 24 Yes

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) 3.86 7.54 -10.11 2 5 0 71 423.723 5
Mid Mid (pH 6-8) 3.86 7.99 -45.73 3 5 1 72 424.731 5

Activity (Go SEA)

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