UCSF

ZINC95942398

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2014 17 Yes

Other Names:

MFCD15415689

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.44 2.62 -39.13 4 4 1 69 237.323 8
Mid Mid (pH 6-8) 1.44 1.51 -10.04 3 4 0 64 236.315 8

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

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