UCSF

ZINC04168081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 15 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) 3.57 7.93 -8.64 0 1 0 13 193.249 0
Mid Mid (pH 6-8) 3.57 8.24 -23.49 1 1 1 14 194.257 0

Activity (Go SEA)

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