UCSF

ZINC42469744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) 0.98 3.5 -35.18 2 3 1 38 247.771 3
Hi High (pH 8-9.5) 0.98 1.24 -5.8 1 3 0 36 246.763 3

Activity (Go SEA)

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