UCSF

ZINC20139538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) 2.74 6.21 -44.98 2 3 1 29 289.424 5
Hi High (pH 8-9.5) 2.74 4.81 -5.12 1 3 0 24 288.416 5

Activity (Go SEA)

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