UCSF

ZINC95868345

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 24 No

Other Names:

MFCD00005763

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) -3.29 -7.5 -184.7 3 13 -3 204 360.199 4
Mid Mid (pH 6-8) -3.29 -8.66 -90.71 4 13 -2 201 361.207 4

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

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