UCSF

ZINC71524443

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 28 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) 0.79 1.93 -58.81 5 8 1 110 383.476 6
Hi High (pH 8-9.5) 0.79 0.56 -13.28 4 8 0 105 382.468 6
Mid Mid (pH 6-8) 0.79 4.21 -107.64 6 8 2 111 384.484 6

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

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