UCSF

ZINC61757047

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 20 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) 1.98 9.43 -35.63 1 3 1 25 277.363 5
Hi High (pH 8-9.5) 1.98 7.07 -11.23 0 3 0 24 276.355 5

Activity (Go SEA)

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