UCSF

ZINC15941727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 23 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) 1.15 0.18 -10 1 7 0 79 359.835 3
Mid Mid (pH 6-8) 1.15 2.38 -46.84 2 7 1 80 360.843 3

Activity (Go SEA)

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