UCSF

ZINC05189614

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 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) 3.61 11.11 -20.36 0 7 0 87 380.4 8
Lo Low (pH 4.5-6) 3.61 11.56 -45.35 1 7 1 88 381.408 8

Activity (Go SEA)

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