UCSF

ZINC39078574

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) 0.60 4.52 -38.41 1 2 1 22 140.206 0
Hi High (pH 8-9.5) 0.60 2.53 -4.8 0 2 0 20 139.198 0

Activity (Go SEA)

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