UCSF

ZINC36274609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 1.40 8.6 -65.59 3 7 0 101 351.41 4
Hi High (pH 8-9.5) 1.40 6.37 -57.2 2 7 -1 100 350.402 4
Lo Low (pH 4.5-6) 1.40 9.24 -100.63 4 7 1 102 352.418 4

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