UCSF

ZINC11754582

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2008 22 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) 0.40 -4.92 -44.47 5 5 1 85 295.366 5
Lo Low (pH 4.5-6) 0.40 -4.81 -95.3 6 5 2 87 296.374 5

Activity (Go SEA)

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