UCSF

ZINC21293260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 0.68 2.62 -30.05 2 8 0 110 368.44 6
Hi High (pH 8-9.5) 0.75 1.72 -57.55 1 8 -1 117 367.432 6

Activity (Go SEA)

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