UCSF

ZINC04041895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 23 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) 0.96 3.57 -47.28 2 7 -1 120 350.353 1
Hi High (pH 8-9.5) 0.96 4.33 -88.84 1 7 -2 122 349.345 1

Activity (Go SEA)

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