UCSF

ZINC37816790

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 3.00 6.18 -38.54 2 4 1 40 292.447 3
Mid Mid (pH 6-8) 3.00 8.38 -99.16 3 4 2 41 293.455 3

Activity (Go SEA)

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