UCSF

ZINC39229056

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.26 8.54 -15.21 0 5 0 49 322.412 3
Lo Low (pH 4.5-6) 1.26 9 -45.72 1 5 1 51 323.42 3
Lo Low (pH 4.5-6) 1.26 8.94 -34.39 1 5 1 51 323.42 3

Activity (Go SEA)

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