UCSF

ZINC08915002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 16 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) 1.60 1.56 -60.15 1 5 -1 78 211.204 1
Mid Mid (pH 6-8) 1.60 0.82 -15.32 2 5 0 75 212.212 1
Mid Mid (pH 6-8) 1.60 1.23 -48.71 3 5 1 76 213.22 1

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

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