UCSF

ZINC21808217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 5.64 10.65 -57.55 2 1 1 17 378.092 4
Mid Mid (pH 6-8) 5.64 9.38 -6.95 1 1 0 12 377.084 4

Activity (Go SEA)

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