UCSF

ZINC40334054

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 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) -2.58 3.8 -26.88 2 9 0 101 295.347 4
Mid Mid (pH 6-8) -2.58 5.95 -64.24 3 9 1 102 296.355 4

Activity (Go SEA)

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