UCSF

ZINC34891799

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 16 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) 1.76 8.45 -33.65 1 3 1 25 225.356 4
Mid Mid (pH 6-8) 1.76 6.59 -3.78 0 3 0 24 224.348 4
Lo Low (pH 4.5-6) 1.76 8.47 -6.45 2 3 0 26 226.364 4

Activity (Go SEA)

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