UCSF

ZINC55077927

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 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) 2.15 3.76 -47.26 3 4 1 51 268.425 3
Mid Mid (pH 6-8) 2.15 4.19 -6.07 2 4 0 50 267.417 3
Mid Mid (pH 6-8) 2.15 5.93 -37.59 3 4 1 51 268.425 3
Mid Mid (pH 6-8) 2.15 5.46 -111.48 4 4 2 52 269.433 3

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

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