UCSF

ZINC22197330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 27 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) 2.96 9.23 -51.85 0 9 -1 125 404.453 6
Mid Mid (pH 6-8) 2.96 8.96 -19.35 1 9 0 123 405.461 6

Activity (Go SEA)

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