UCSF

ZINC31865702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 3.30 12.3 -41.23 1 6 1 55 404.519 3
Mid Mid (pH 6-8) 3.30 11.98 -11.99 0 6 0 54 403.511 3

Activity (Go SEA)

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