UCSF

ZINC20233364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 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) 1.44 6.55 -51.36 0 6 -1 77 302.354 2
Mid Mid (pH 6-8) 1.44 6.28 -34.91 1 6 0 78 303.362 2
Mid Mid (pH 6-8) 1.44 5.71 -9.62 1 6 0 74 303.362 2

Activity (Go SEA)

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