UCSF

ZINC00902556

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 30 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) 4.05 -5.54 -19.58 2 7 0 101 421.478 5
Hi High (pH 8-9.5) 4.05 -5 -49.76 1 7 -1 103 420.47 5

Activity (Go SEA)

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

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