UCSF

ZINC08317619

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.80 8.27 -49.97 3 5 1 68 344.479 7
Mid Mid (pH 6-8) 1.80 6.1 -15.81 2 5 0 67 343.471 7

Activity (Go SEA)

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