UCSF

ZINC42445572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.95 4.27 -49.62 3 4 1 57 314.203 6
Lo Low (pH 4.5-6) 1.95 5.84 -128.11 4 4 2 58 315.211 6

Activity (Go SEA)

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