UCSF

ZINC43896453

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 4.67 8.35 -30.43 2 2 1 16 255.47 6
Hi High (pH 8-9.5) 4.67 7.53 -32.82 2 2 1 20 255.47 6

Activity (Go SEA)

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