UCSF

ZINC62935375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 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) -0.50 5.91 -57.44 1 6 0 82 254.286 3
Hi High (pH 8-9.5) -0.50 3.44 -49.95 0 6 -1 81 253.278 3

Activity (Go SEA)

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

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