UCSF

ZINC60120547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 8 Yes

Other Names:

MFCD18643362

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) -2.16 -3.52 -40.65 5 3 1 63 117.172 2
Mid Mid (pH 6-8) -2.16 -2.49 -105.22 6 3 2 65 118.18 2

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Rings

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

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