UCSF

ZINC42462777

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) 0.52 6.41 -10.53 1 5 0 46 228.321 1
Mid Mid (pH 6-8) 1.25 5.5 -44.12 0 5 -1 43 227.313 1

Activity (Go SEA)

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