UCSF

ZINC62284132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 23 Yes

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) 1.63 2.33 -13.82 2 7 0 108 312.329 4
Mid Mid (pH 6-8) 2.09 0.59 -48.23 1 7 -1 111 311.321 4

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

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