UCSF

ZINC43994382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 13 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) 0.75 5.81 -92.34 3 3 2 36 181.283 2
Hi High (pH 8-9.5) 0.75 5.33 -46.84 2 3 1 34 180.275 2

Activity (Go SEA)

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