UCSF

ZINC49096788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 17 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) -0.01 -0.16 -53.96 2 6 0 82 236.275 3
Lo Low (pH 4.5-6) -0.46 1.68 -42.34 3 6 1 79 237.283 3

Activity (Go SEA)

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