UCSF

ZINC52395927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 15 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) 1.45 5.29 -37.43 2 3 1 37 227.353 5
Hi High (pH 8-9.5) 1.45 4.09 -8.09 1 3 0 32 226.345 5

Activity (Go SEA)

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