UCSF

ZINC34829676

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 4.12 13.25 -51.43 1 6 1 54 482.67 5
Mid Mid (pH 6-8) 4.12 11.54 -15.62 0 6 0 53 481.662 5

Activity (Go SEA)

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