UCSF

ZINC21713642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 2.75 7.95 -16.23 1 7 0 66 378.48 5
Mid Mid (pH 6-8) 2.75 10.19 -47.45 2 7 1 67 379.488 5

Activity (Go SEA)

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