UCSF

ZINC44691191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.03 6.4 -26.1 2 4 1 40 280.417 7
Mid Mid (pH 6-8) 2.03 5.77 -9.49 1 4 0 39 279.409 7
Lo Low (pH 4.5-6) 2.03 7.43 -93.72 3 4 2 45 281.425 7

Activity (Go SEA)

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