UCSF

ZINC62810154

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 14 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) 2.19 1.71 -46.84 2 3 1 39 207.278 2
Mid Mid (pH 6-8) 2.19 0.01 -7.5 1 3 0 34 206.27 2

Activity (Go SEA)

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

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