UCSF

ZINC21788105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.13 4.69 -75.23 1 6 0 82 318.42 5
Mid Mid (pH 6-8) 1.13 2.43 -48.53 0 6 -1 81 317.412 5

Activity (Go SEA)

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