UCSF

ZINC12667772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 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) 2.54 9.01 -19 1 6 0 64 319.368 4
Mid Mid (pH 6-8) 2.54 9.44 -34.45 2 6 1 65 320.376 4
Lo Low (pH 4.5-6) 2.54 9.95 -73.6 3 6 2 66 321.384 4

Activity (Go SEA)

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