UCSF

ZINC13726684

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

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) 4.33 9.66 -11.8 1 5 0 61 350.447 2
Ref Reference (pH 7) 3.84 9.07 -20.22 1 5 0 58 350.447 3
Mid Mid (pH 6-8) 3.84 8.65 -50.82 0 5 -1 60 349.439 3
Lo Low (pH 4.5-6) 4.33 10.3 -45.56 2 5 1 63 351.455 2
Lo Low (pH 4.5-6) 3.58 10.03 -49.53 2 5 1 63 351.455 2
Lo Low (pH 4.5-6) 3.58 9.39 -20.27 1 5 0 61 350.447 2

Activity (Go SEA)

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