UCSF

ZINC23359204

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 3.51 8.52 -15.36 2 6 0 84 374.51 8
Hi High (pH 8-9.5) 3.70 7.45 -43.34 1 6 -1 90 373.502 8

Activity (Go SEA)

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