UCSF

ZINC20615079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 24 No

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) 5.74 9.36 -20.1 2 4 0 62 430.245 3
Hi High (pH 8-9.5) 5.74 10.39 -67.26 1 4 -1 65 429.237 3

Activity (Go SEA)

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

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