UCSF

ZINC44693442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.18 4.02 -35.22 2 4 1 35 245.387 9
Lo Low (pH 4.5-6) 1.18 3.04 -36.17 2 4 1 38 245.387 9
Lo Low (pH 4.5-6) 1.18 5.27 -100.5 3 4 2 40 246.395 9

Activity (Go SEA)

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