UCSF

ZINC20049206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 19 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) 0.82 6.01 -112.84 4 5 2 74 270.421 11
Hi High (pH 8-9.5) 0.82 4.86 -43.64 3 5 1 69 269.413 11

Activity (Go SEA)

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