UCSF

ZINC40863035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 12 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) 1.45 4.9 -4.53 1 3 0 38 165.24 3
Lo Low (pH 4.5-6) 1.45 5.4 -31.71 2 3 1 39 166.248 3

Activity (Go SEA)

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