UCSF

ZINC06364755

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 17 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) 0.58 3.83 -42.56 2 4 1 47 239.339 7
Mid Mid (pH 6-8) 0.58 1.45 -7.8 1 4 0 46 238.331 7

Activity (Go SEA)

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