UCSF

ZINC45625503

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.61 7.22 -8.17 1 6 0 88 350.172 4
Lo Low (pH 4.5-6) 2.61 7.39 -39.06 2 6 1 89 351.18 4

Activity (Go SEA)

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