UCSF

ZINC38205225

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 32 No

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) 5.70 12.76 -12.86 1 6 0 88 452.576 9
Hi High (pH 8-9.5) 5.88 11.22 -46.3 0 6 -1 95 451.568 9

Activity (Go SEA)

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