UCSF

ZINC21806720

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) 1.60 4.3 -52.96 2 6 -1 100 291.356 3
Mid Mid (pH 6-8) 1.60 4.26 -15.44 3 6 0 98 292.364 3

Activity (Go SEA)

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