UCSF

ZINC72338671

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2012 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) 1.40 3.59 -40.41 3 4 1 63 216.301 4
Hi High (pH 8-9.5) 1.40 4.18 -37.11 2 4 0 66 215.293 4
Hi High (pH 8-9.5) 1.40 2.47 -3.68 2 4 0 59 215.293 4

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

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