UCSF

ZINC20967677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 19 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) 3.09 8.53 -121.66 3 3 2 30 329.282 6
Mid Mid (pH 6-8) 3.09 7.62 -33.27 2 3 1 26 328.274 6

Activity (Go SEA)

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