UCSF

ZINC44721548

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 1.15 3.11 -36.1 3 4 1 46 266.287 6
Lo Low (pH 4.5-6) 1.15 4.25 -113.72 4 4 2 50 267.295 6
Lo Low (pH 4.5-6) 1.15 1.76 -44.63 3 4 1 49 266.287 6

Activity (Go SEA)

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