UCSF

ZINC37988407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 2.95 7.51 -38.13 2 3 1 39 299.419 5
Mid Mid (pH 6-8) 2.95 6.14 -7.66 1 3 0 34 298.411 5

Activity (Go SEA)

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