UCSF

ZINC22872212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 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) 1.21 3.01 -124.71 5 2 2 44 158.289 3
Hi High (pH 8-9.5) 1.21 1.75 -41.21 4 2 1 40 157.281 3
Mid Mid (pH 6-8) 1.21 2.7 -37.67 4 2 1 43 157.281 3

Activity (Go SEA)

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