UCSF

ZINC98181609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2014 10 Yes

Other Names:

MFCD18973928

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) 0.86 0.42 -5.76 2 3 0 52 157.604 1
Mid Mid (pH 6-8) 0.86 0.86 -50.23 3 3 1 53 158.612 1

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

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