UCSF

ZINC38217411

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.33 11.14 -11.18 2 4 0 59 470.274 7
Hi High (pH 8-9.5) 7.33 12.14 -50.23 1 4 -1 61 469.266 7

Activity (Go SEA)

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