UCSF

ZINC39302301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 3.23 8.45 -16.35 1 5 0 68 368.44 4
Lo Low (pH 4.5-6) 3.23 8.93 -51.55 2 5 1 69 369.448 4

Activity (Go SEA)

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