UCSF

ZINC35249319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 1.35 4.85 -13.1 1 6 0 74 299.348 5
Hi High (pH 8-9.5) 1.54 2.15 -39.65 0 6 -1 80 298.34 5

Activity (Go SEA)

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