UCSF

ZINC37087813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.47 5.35 -44.49 2 4 0 66 255.339 5
Hi High (pH 8-9.5) 1.47 4.33 -44.32 1 4 -1 61 254.331 5

Activity (Go SEA)

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