UCSF

ZINC20931263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 3.43 8.62 -45.4 2 4 1 44 316.421 9
Hi High (pH 8-9.5) 3.43 7.14 -8.45 1 4 0 40 315.413 9

Activity (Go SEA)

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