UCSF

ZINC21816906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.20 9.01 -33.76 2 2 1 20 277.476 7
Mid Mid (pH 6-8) 4.20 10 -30.09 2 2 1 16 277.476 7
Lo Low (pH 4.5-6) 4.20 10.98 -110.39 3 2 2 21 278.484 7

Activity (Go SEA)

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