UCSF

ZINC20997886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 2.51 8.69 -93.6 4 5 2 50 394.991 6
Hi High (pH 8-9.5) 2.51 6.37 -40.23 3 5 1 49 393.983 6

Activity (Go SEA)

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