UCSF

ZINC34610208

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 1.06 1.77 -6.73 1 4 0 52 209.245 3
Lo Low (pH 4.5-6) 1.06 2.18 -34.14 2 4 1 53 210.253 3

Activity (Go SEA)

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