UCSF

ZINC43325279

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 3.24 9.02 -41.65 2 4 1 37 294.394 3
Mid Mid (pH 6-8) 3.24 7.1 -6.3 1 4 0 36 293.386 3

Activity (Go SEA)

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