UCSF

ZINC21813111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 No

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) 1.13 2 -13.66 0 6 0 91 291.332 3
Mid Mid (pH 6-8) 1.13 3.17 -51.21 1 6 1 92 292.34 3

Activity (Go SEA)

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