UCSF

ZINC34040144

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 20 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) 2.28 8.68 -51.08 1 4 1 34 281.351 5
Mid Mid (pH 6-8) 2.28 6.47 -11.45 0 4 0 33 280.343 5

Activity (Go SEA)

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