UCSF

ZINC08152426

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2006 26 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) 3.98 7.44 -51.87 3 6 1 72 397.282 7
Mid Mid (pH 6-8) 3.80 6.74 -40.63 2 6 0 78 396.274 7

Activity (Go SEA)

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