UCSF

ZINC95743888

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 11 No

Other Names:

MFCD04115105

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) 0.81 1.88 -28.74 3 3 1 52 152.221 1
Lo Low (pH 4.5-6) 0.81 1.62 -120.59 4 3 2 54 153.229 1

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

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