UCSF

ZINC34829628

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 No

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) 2.94 11.43 -53.54 1 6 1 54 463.023 5
Mid Mid (pH 6-8) 2.94 9.72 -17.55 0 6 0 53 462.015 5

Activity (Go SEA)

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