UCSF

ZINC37168100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.43 7.83 -41.32 2 2 1 20 293.862 5
Hi High (pH 8-9.5) 3.43 7.01 -1.68 1 2 0 15 292.854 5
Lo Low (pH 4.5-6) 3.43 9.52 -33.85 2 2 1 16 293.862 5
Lo Low (pH 4.5-6) 3.43 10.34 -112.16 3 2 2 21 294.87 5

Activity (Go SEA)

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