UCSF

ZINC37248719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 0.74 5.03 -38.94 2 4 1 34 237.371 3
Lo Low (pH 4.5-6) 0.74 6.22 -108.43 3 4 2 39 238.379 3
Lo Low (pH 4.5-6) 0.74 3.83 -42.39 2 4 1 38 237.371 3

Activity (Go SEA)

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