UCSF

ZINC39088049

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 1.26 3.55 -37.4 2 3 1 43 158.221 3
Hi High (pH 8-9.5) 1.26 1.84 -4.27 1 3 0 38 157.213 3

Activity (Go SEA)

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