UCSF

ZINC19775800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 3.21 7.28 -39.09 4 4 1 60 292.447 7
Hi High (pH 8-9.5) 3.21 5.37 -11.35 3 4 0 58 291.439 7

Activity (Go SEA)

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