UCSF

ZINC12880593

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 24 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) 3.65 10.32 -10.03 2 6 0 83 322.368 4
Hi High (pH 8-9.5) 3.66 9.07 -52.24 1 6 -1 86 321.36 5

Activity (Go SEA)

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