UCSF

ZINC23066884

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 14 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) -0.20 2.69 -41.25 3 3 1 46 196.27 5
Hi High (pH 8-9.5) -0.20 2.46 -4.11 2 3 0 44 195.262 5

Activity (Go SEA)

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