UCSF

ZINC19431489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.27 5 -46.31 3 3 1 46 237.298 2
Hi High (pH 8-9.5) 2.27 3.74 -10.99 2 3 0 41 236.29 2

Activity (Go SEA)

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