UCSF

ZINC37826976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.13 3.49 -48.33 2 4 1 40 238.355 2
Mid Mid (pH 6-8) 0.13 5.67 -102.43 3 4 2 41 239.363 2

Activity (Go SEA)

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