UCSF

ZINC20573173

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 23 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) 0.94 3.27 -14.36 1 6 0 62 382.258 4
Ref Reference (pH 7) 0.94 3.27 -14.08 1 6 0 62 382.258 4
Mid Mid (pH 6-8) 0.94 5.55 -50.72 2 6 1 63 383.266 4

Activity (Go SEA)

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