UCSF

ZINC19919146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.31 5.16 -41.57 2 3 1 29 237.367 8
Mid Mid (pH 6-8) 2.31 5.99 -33.87 2 3 1 26 237.367 8

Activity (Go SEA)

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