UCSF

ZINC08320293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 28 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) 2.68 8.8 -57.44 0 6 -1 87 380.351 5
Lo Low (pH 4.5-6) 2.68 8.04 -15.2 1 6 0 84 381.359 5

Activity (Go SEA)

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