UCSF

ZINC20573612

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) 0.29 2.72 -14.85 1 6 0 62 321.352 4
Mid Mid (pH 6-8) 0.29 4.99 -51.51 2 6 1 63 322.36 4

Activity (Go SEA)

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