UCSF

ZINC45650847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.29 3.4 -6.26 3 5 0 74 252.314 7
Lo Low (pH 4.5-6) 2.29 3.94 -43.24 4 5 1 78 253.322 7

Activity (Go SEA)

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