UCSF

ZINC19883910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 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) 2.23 6.27 -61.77 0 7 -1 86 409.462 7
Mid Mid (pH 6-8) 2.23 8.6 -73.56 1 7 0 87 410.47 7
Lo Low (pH 4.5-6) 2.23 7.77 -47.56 2 7 1 84 411.478 7

Activity (Go SEA)

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