UCSF

ZINC04052114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 15 No

Other Names:

MFCD02186216

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.53 2.69 -7.93 1 3 0 45 218.178 4
Lo Low (pH 4.5-6) 1.35 2.75 -35.06 3 3 1 46 219.186 4

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