UCSF

ZINC22937490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 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) 3.87 11.16 -7.27 0 6 0 59 410.514 10
Mid Mid (pH 6-8) 3.87 13.09 -33.03 1 6 1 60 411.522 10

Activity (Go SEA)

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