UCSF

ZINC23128465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 28 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) 1.06 2.44 -55.9 3 7 1 77 397.446 6
Hi High (pH 8-9.5) 1.06 0.85 -18.45 2 7 0 76 396.438 6

Activity (Go SEA)

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