UCSF

ZINC41684207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.94 8.62 -34.01 2 6 1 75 287.771 7
Hi High (pH 8-9.5) 2.94 6.41 -4.66 1 6 0 74 286.763 7

Activity (Go SEA)

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