UCSF

ZINC20075926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.82 6.23 -27.03 4 3 1 55 206.313 5
Hi High (pH 8-9.5) 1.82 5.53 -6.02 3 3 0 53 205.305 5

Activity (Go SEA)

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