UCSF

ZINC12247135

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 33 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) 1.83 0.31 -55.81 1 7 1 69 453.607 8
Lo Low (pH 4.5-6) 1.83 0.42 -120.47 2 7 2 70 454.615 8

Activity (Go SEA)

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