UCSF

ZINC41679969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.50 2.28 -59.83 4 5 1 83 229.3 6
Mid Mid (pH 6-8) 0.50 2.05 -12.47 3 5 0 81 228.292 6

Activity (Go SEA)

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