UCSF

ZINC71140004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2011 17 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) 1.82 7.33 -43.93 1 3 1 25 298.204 2
Hi High (pH 8-9.5) 1.82 4.92 -9.59 0 3 0 24 297.196 2

Activity (Go SEA)

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