UCSF

ZINC37873062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) -0.88 0.33 -95.66 4 4 2 51 178.276 7
Mid Mid (pH 6-8) -0.88 0.88 -40.03 3 4 1 53 177.268 7
Mid Mid (pH 6-8) -0.88 -1.08 -34.6 3 4 1 46 177.268 7

Activity (Go SEA)

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