UCSF

ZINC44727006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 1.50 2.04 -46.38 4 4 1 66 229.344 5
Mid Mid (pH 6-8) 1.50 1.76 -4.68 3 4 0 64 228.336 5

Activity (Go SEA)

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