UCSF

ZINC39742485

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 31 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) 4.63 8.81 -63.96 1 7 -1 103 449.537 6
Hi High (pH 8-9.5) 4.70 7.58 -125.47 0 7 -2 109 448.529 6
Mid Mid (pH 6-8) 4.63 8.79 -22.84 2 7 0 101 450.545 6

Activity (Go SEA)

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