UCSF

ZINC19797601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 19 Yes

Other Names:

MFCD01475050

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) 2.16 5.87 -8.96 2 3 0 41 251.333 5
Lo Low (pH 4.5-6) 2.16 6.3 -38.34 3 3 1 42 252.341 5

Activity (Go SEA)

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