UCSF

ZINC42901000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.67 7.22 -46.42 3 2 1 31 273.375 5
Mid Mid (pH 6-8) 2.67 8.9 -131.71 4 2 2 32 274.383 5

Activity (Go SEA)

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