UCSF

ZINC41684839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 No

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) -0.05 3.41 -40.88 3 6 1 75 255.342 6
Hi High (pH 8-9.5) 0.14 1.23 -34.86 2 6 0 81 254.334 6

Activity (Go SEA)

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