UCSF

ZINC06581298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 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) 3.46 5 -9.17 2 3 0 49 231.226 2
Hi High (pH 8-9.5) 3.46 6 -48.8 1 3 -1 52 230.218 2

Activity (Go SEA)

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