UCSF

ZINC26893127

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 14 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) 2.17 5.73 -34.62 2 3 1 43 198.286 3
Mid Mid (pH 6-8) 2.17 4.8 -4.93 1 3 0 38 197.278 3

Activity (Go SEA)

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