UCSF

ZINC20244559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) -0.12 -1.22 -56.05 4 9 -1 155 290.211 3
Hi High (pH 8-9.5) 0.34 -3.01 -96.21 3 9 -2 158 289.203 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.