UCSF

ZINC44693434

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) 0.97 3.81 -33.13 2 4 1 35 245.387 8
Lo Low (pH 4.5-6) 0.97 2.85 -36.11 2 4 1 38 245.387 8
Lo Low (pH 4.5-6) 0.97 5.05 -98.54 3 4 2 40 246.395 8

Activity (Go SEA)

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