UCSF

ZINC42247918

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 2.39 4.12 -4.19 1 3 0 33 261.365 3
Mid Mid (pH 6-8) 2.39 6.34 -35.94 2 3 1 34 262.373 3

Activity (Go SEA)

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