UCSF

ZINC37860143

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 0.49 1.87 -53.49 4 4 1 66 302.192 6
Mid Mid (pH 6-8) 0.49 0.47 -11.29 3 4 0 61 301.184 6

Activity (Go SEA)

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