UCSF

ZINC06756531

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 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) 2.58 7.8 -18.62 1 4 0 49 377.213 3
Ref Reference (pH 7) 2.58 7.8 -17.75 1 4 0 49 377.213 3

Activity (Go SEA)

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