UCSF

ZINC31949140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 4.20 9.48 -8.5 1 3 0 38 304.18 3
Lo Low (pH 4.5-6) 4.20 9.92 -31.5 2 3 1 39 305.188 3

Activity (Go SEA)

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