UCSF

ZINC20486051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 4.20 7.46 -43.71 0 4 -1 56 283.779 8
Lo Low (pH 4.5-6) 4.20 7.76 -38.46 1 4 0 58 284.787 8

Activity (Go SEA)

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