UCSF

ZINC34829670

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 5.28 15.52 -53.18 1 6 1 54 532.73 7
Mid Mid (pH 6-8) 5.28 13.81 -16.38 0 6 0 53 531.722 7

Activity (Go SEA)

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