UCSF

ZINC95743847

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 16 No

Other Names:

MFCD04114735

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) 1.23 5.82 -48.97 2 2 1 29 219.283 1
Hi High (pH 8-9.5) 1.23 4.49 -7.68 1 2 0 25 218.275 1

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

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