UCSF

ZINC37168855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 2.48 6.1 -37.42 2 2 1 20 243.374 2
Lo Low (pH 4.5-6) 2.48 8.6 -108.38 3 2 2 21 244.382 2
Lo Low (pH 4.5-6) 2.48 7.63 -32.74 2 2 1 16 243.374 2

Activity (Go SEA)

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