UCSF

ZINC45625567

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) 1.83 7.86 -8.42 0 6 0 79 350.172 4
Lo Low (pH 4.5-6) 1.83 8.37 -34.63 1 6 1 80 351.18 4

Activity (Go SEA)

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