UCSF

ZINC52565306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 22 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) 1.50 9.46 -48.72 1 4 1 39 296.394 3
Hi High (pH 8-9.5) 1.50 7.35 -16.48 0 4 0 38 295.386 3

Activity (Go SEA)

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