UCSF

ZINC09708636

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 22 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) 1.27 -0.47 -12.2 0 8 0 84 306.322 4
Mid Mid (pH 6-8) 1.27 0.41 -33.1 1 8 1 84 307.33 4

Activity (Go SEA)

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