UCSF

ZINC19901082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 2.87 3.62 -113.31 5 4 2 61 282.428 7
Mid Mid (pH 6-8) 2.87 2.51 -33.19 4 4 1 57 281.42 7

Activity (Go SEA)

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