UCSF

ZINC62749576

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 14 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) 0.71 2.9 -40.9 2 3 1 37 197.302 1
Hi High (pH 8-9.5) 0.71 1.53 -5.57 1 3 0 32 196.294 1

Activity (Go SEA)

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