UCSF

ZINC44690635

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 1.59 3.98 -29.22 2 3 1 29 227.372 5
Mid Mid (pH 6-8) 1.58 6.32 -28.54 2 3 1 26 227.372 5
Lo Low (pH 4.5-6) 1.59 6.35 -93.61 3 3 2 30 228.38 5

Activity (Go SEA)

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