UCSF

ZINC69758536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.92 7.39 -84.57 2 4 2 36 305.245 4
Hi High (pH 8-9.5) 0.92 6.09 -12.3 0 4 0 33 303.229 4
Mid Mid (pH 6-8) 0.92 7.03 -33.7 1 4 1 35 304.237 4

Activity (Go SEA)

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

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