UCSF

ZINC40100511

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 No

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) 0.49 2.74 -60.2 1 7 -1 103 353.354 6
Lo Low (pH 4.5-6) 0.49 1.97 -16.22 2 7 0 100 354.362 6

Activity (Go SEA)

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