UCSF

ZINC34683550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 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) 3.49 9.36 -55.14 2 4 1 45 357.449 5
Hi High (pH 8-9.5) 3.49 10.13 -45.89 1 4 0 48 356.441 5

Activity (Go SEA)

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