UCSF

ZINC12231494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 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) 1.71 4.1 -13.23 0 10 0 106 374.401 6
Mid Mid (pH 6-8) 1.71 4.26 -34.75 1 10 1 107 375.409 6

Activity (Go SEA)

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