UCSF

ZINC37871485

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 0.17 1.39 -12.38 2 4 0 65 183.255 5
Mid Mid (pH 6-8) 0.17 2.59 -48.17 3 4 1 69 184.263 5

Activity (Go SEA)

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