UCSF

ZINC20941593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) -0.25 4.72 -57.83 2 8 1 94 308.362 7
Hi High (pH 8-9.5) -0.25 2.49 -22.74 1 8 0 93 307.354 7

Activity (Go SEA)

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