UCSF

ZINC51104229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 14 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) -0.84 -1.61 -11.3 2 5 0 65 202.254 5
Lo Low (pH 4.5-6) -0.84 0.65 -49.22 3 5 1 66 203.262 5

Activity (Go SEA)

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