UCSF

ZINC13990861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 22 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) 2.97 7.33 -5.99 0 3 0 25 322.811 8
Mid Mid (pH 6-8) 2.97 7.36 -30.46 1 3 1 27 323.819 8
Lo Low (pH 4.5-6) 2.97 8.88 -93.61 2 3 2 28 324.827 8

Activity (Go SEA)

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