UCSF

ZINC12402651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 3.36 7.97 -14.58 1 7 0 85 414.38 7
Hi High (pH 8-9.5) 2.88 5.67 -51.15 0 7 -1 91 413.372 7

Activity (Go SEA)

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