UCSF

ZINC40847727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 15 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) 3.55 8.75 -6.37 0 2 0 18 220.703 1
Lo Low (pH 4.5-6) 3.55 9.23 -30.97 1 2 1 19 221.711 1

Activity (Go SEA)

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