UCSF

ZINC20129163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.53 8.47 -38.7 2 2 1 16 285.814 6
Mid Mid (pH 6-8) 3.53 9.73 -118.46 3 2 2 21 286.822 6
Mid Mid (pH 6-8) 3.53 7.21 -49.42 2 2 1 20 285.814 6

Activity (Go SEA)

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