UCSF

ZINC16430169

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 15 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) 0.42 3.44 -40.79 3 5 1 72 206.225 4
Mid Mid (pH 6-8) 0.42 3.41 -40.58 3 5 1 72 206.225 4
Mid Mid (pH 6-8) 0.42 2.95 -14.19 2 5 0 71 205.217 4
Mid Mid (pH 6-8) 0.42 2.93 -13.57 2 5 0 71 205.217 4

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

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