UCSF

ZINC42782302

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.65 2.85 -55.7 3 4 1 65 291.462 5
Hi High (pH 8-9.5) 2.65 2.45 -8.89 2 4 0 63 290.454 5

Activity (Go SEA)

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