UCSF

ZINC37846511

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.17 5.26 -45.99 3 3 1 40 279.448 8
Mid Mid (pH 6-8) 3.17 6.62 -32.63 3 3 1 40 279.448 8
Mid Mid (pH 6-8) 3.17 6.93 -123.77 4 3 2 41 280.456 8

Activity (Go SEA)

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