UCSF

ZINC38734804

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 5.04 8.61 -119.03 3 6 2 91 435.549 4
Hi High (pH 8-9.5) 5.04 8.73 -43.83 2 6 1 93 434.541 4

Activity (Go SEA)

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