UCSF

ZINC69251148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.00 0.01 -3.62 1 5 0 45 274.405 10
Mid Mid (pH 6-8) 1.00 1.38 -36.21 2 5 1 46 275.413 10
Lo Low (pH 4.5-6) 1.00 1.26 -37.48 2 5 1 46 275.413 10
Lo Low (pH 4.5-6) 1.00 3.65 -100.91 3 5 2 48 276.421 10

Activity (Go SEA)

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