UCSF

ZINC84317435

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2013 14 No

CAS Number: 27494-47-9

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) -0.58 3.53 -33.12 2 5 0 84 203.238 5
Mid Mid (pH 6-8) -0.58 2.91 -50.21 1 5 -1 82 202.23 5

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

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