UCSF

ZINC39757046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 2.25 8.34 -17.32 2 9 0 111 522.722 11
Lo Low (pH 4.5-6) 2.25 9.47 -39.45 3 9 1 112 523.73 11

Activity (Go SEA)

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