UCSF

ZINC32918145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 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) -2.29 0.92 -42.48 1 7 -1 106 244.252 3
Hi High (pH 8-9.5) -2.29 0.53 -114.89 0 7 -2 105 243.244 3

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

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