UCSF

ZINC01544229

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 40 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) 7.05 2.01 -21.7 0 6 0 69 526.64 7
Mid Mid (pH 6-8) 7.05 2.17 -40.97 1 6 1 71 527.648 7
Lo Low (pH 4.5-6) 7.05 2.07 -34.01 1 6 1 71 527.648 7
Lo Low (pH 4.5-6) 7.05 2.27 -101.41 2 6 2 72 528.656 7
Lo Low (pH 4.5-6) 7.05 2.1 -41.9 1 6 1 71 527.648 7
Lo Low (pH 4.5-6) 7.05 2.23 -75.06 2 6 2 72 528.656 7
Lo Low (pH 4.5-6) 7.05 2.16 -77.28 2 6 2 72 528.656 7
Lo Low (pH 4.5-6) 7.05 2.33 -158.68 3 6 3 73 529.664 7

Activity (Go SEA)

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