UCSF

ZINC44686109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 Yes

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) 1.83 7.13 -90.13 3 4 2 37 288.439 4
Hi High (pH 8-9.5) 1.83 6.81 -43.07 2 4 1 36 287.431 4
Hi High (pH 8-9.5) 1.83 5.68 -4.75 1 4 0 31 286.423 4
Mid Mid (pH 6-8) 1.83 8.34 -70.93 3 4 2 34 288.439 4
Mid Mid (pH 6-8) 1.83 8.03 -35.42 2 4 1 33 287.431 4
Lo Low (pH 4.5-6) 1.83 9.47 -173.79 4 4 3 38 289.447 4

Activity (Go SEA)

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