UCSF

ZINC40177097

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 4.34 8.42 -13.61 1 4 0 51 320.392 3
Mid Mid (pH 6-8) 4.34 8.73 -29.1 2 4 1 52 321.4 3
Lo Low (pH 4.5-6) 4.51 8.75 -27.91 2 4 1 56 321.4 2

Activity (Go SEA)

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