UCSF

ZINC42420221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.14 6.62 -71.67 2 5 0 77 252.314 2
Hi High (pH 8-9.5) 0.14 5.06 -46.11 1 5 -1 72 251.306 2
Lo Low (pH 4.5-6) 0.14 4.29 -44.81 3 5 1 74 253.322 2

Activity (Go SEA)

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