UCSF

ZINC48616786

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 23 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) 2.94 9.05 -36.05 1 4 1 34 327.395 6
Hi High (pH 8-9.5) 2.94 7.03 -10.42 0 4 0 33 326.387 6

Activity (Go SEA)

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