UCSF

ZINC15781334

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 32 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) 5.28 8.36 -14.21 1 6 0 84 474.579 6
Hi High (pH 8-9.5) 5.28 8.44 -52.54 0 6 -1 86 473.571 6

Activity (Go SEA)

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