UCSF

ZINC38955352

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 2.27 5.69 -39.72 2 3 1 29 261.267 4
Hi High (pH 8-9.5) 2.27 4.38 -5.14 1 3 0 24 260.259 4

Activity (Go SEA)

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