UCSF

ZINC23708283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 26 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) 4.28 7.14 -19.16 1 5 0 76 471.785 4
Hi High (pH 8-9.5) 4.35 6.23 -44.19 0 5 -1 82 470.777 4

Activity (Go SEA)

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