UCSF

ZINC12943129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 22 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) 1.03 6.68 -8.89 0 4 0 42 290.37 6
Mid Mid (pH 6-8) 1.03 7.01 -34.1 1 4 1 43 291.378 6
Lo Low (pH 4.5-6) 1.03 8.72 -106.18 2 4 2 44 292.386 6
Lo Low (pH 4.5-6) 1.03 9.57 -185.99 3 4 3 46 293.394 6
Lo Low (pH 4.5-6) 1.03 7.95 -87.17 2 4 2 44 292.386 6
Lo Low (pH 4.5-6) 1.03 7.21 -162.73 3 4 3 46 293.394 6

Vendor Notes

Note Type Comments Provided By
MP 86 TCI

Activity (Go SEA)

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