UCSF

ZINC38805170

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 18 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) 1.45 5.25 -8.48 2 4 0 65 244.294 5
Mid Mid (pH 6-8) 1.45 5.57 -36.51 3 4 1 66 245.302 5
Mid Mid (pH 6-8) 1.45 5.46 -45.67 3 4 1 67 245.302 5

Activity (Go SEA)

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