UCSF

ZINC39327919

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 2.96 6.06 -10.7 3 5 0 81 380.498 4
Mid Mid (pH 6-8) 2.96 6.46 -35.16 4 5 1 82 381.506 4
Lo Low (pH 4.5-6) 2.96 6.93 -78.82 5 5 2 83 382.514 4

Activity (Go SEA)

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