UCSF

ZINC20360834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 15 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) 1.00 5.1 -39.97 1 4 1 34 215.317 5
Mid Mid (pH 6-8) 1.00 7.34 -101.06 2 4 2 35 216.325 5
Lo Low (pH 4.5-6) 1.00 4.93 -35.94 1 4 1 34 215.317 5

Activity (Go SEA)

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