UCSF

ZINC49352808

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) 3.60 6.48 -11.69 2 3 0 49 271.291 2
Hi High (pH 8-9.5) 3.60 7.48 -57.69 1 3 -1 52 270.283 2

Activity (Go SEA)

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