UCSF

ZINC21811316

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 0.39 0.73 -54.82 3 5 1 68 284.405 4
Mid Mid (pH 6-8) 0.39 3.11 -101.25 4 5 2 69 285.413 4

Activity (Go SEA)

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