UCSF

ZINC62937699

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) -0.22 1.15 -46.51 1 6 -1 90 253.278 4
Hi High (pH 8-9.5) -0.22 3.93 -50.45 2 6 0 91 254.286 4
Mid Mid (pH 6-8) -0.04 1.39 -61.98 1 6 -1 97 253.278 4

Activity (Go SEA)

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

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