UCSF

ZINC23382351

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 29 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) 3.68 13.31 -13.32 1 6 0 67 392.434 4
Lo Low (pH 4.5-6) 3.68 13.76 -37.2 2 6 1 68 393.442 4

Activity (Go SEA)

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