UCSF

ZINC37799502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

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) 0.08 2.27 -41.9 2 5 1 49 286.421 3
Mid Mid (pH 6-8) 0.08 3.38 -46.3 2 5 1 46 286.421 3
Mid Mid (pH 6-8) 0.08 1.14 -10.51 1 5 0 45 285.413 3
Mid Mid (pH 6-8) 0.08 4.5 -101.5 3 5 2 51 287.429 3

Activity (Go SEA)

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