UCSF

ZINC44994851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 13 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 0.12 -38.6 3 5 1 69 183.235 2
Hi High (pH 8-9.5) -1.18 -2.12 -52.37 3 5 1 70 183.235 2
Lo Low (pH 4.5-6) -1.18 0.42 -122.53 4 5 2 71 184.243 2

Activity (Go SEA)

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