UCSF

ZINC22861304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 18 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) 1.85 5.1 -38.36 2 4 1 37 248.35 3
Hi High (pH 8-9.5) 1.85 2.72 -8.93 1 4 0 36 247.342 3

Activity (Go SEA)

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