UCSF

ZINC36275007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 2.53 8.57 -37.91 3 5 1 61 322.436 3
Hi High (pH 8-9.5) 2.53 6.36 -9.82 2 5 0 59 321.428 3
Lo Low (pH 4.5-6) 2.53 9.27 -89.4 4 5 2 62 323.444 3

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