UCSF

ZINC19721017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 26 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) 2.80 5.62 -34.71 2 4 1 31 360.566 6
Hi High (pH 8-9.5) 2.80 5.73 -35.77 2 4 1 31 360.566 6
Lo Low (pH 4.5-6) 2.80 7.87 -101.25 3 4 2 32 361.574 6

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