UCSF

ZINC39327915

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 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) 3.17 6.95 -10.03 3 5 0 81 374.469 4
Mid Mid (pH 6-8) 3.17 7.35 -34.32 4 5 1 82 375.477 4
Lo Low (pH 4.5-6) 3.17 7.82 -78.22 5 5 2 83 376.485 4

Activity (Go SEA)

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