UCSF

ZINC06256891

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 29 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) 3.60 11.53 -14.19 1 5 0 47 407.539 9
Lo Low (pH 4.5-6) 3.60 11.99 -42.45 2 5 1 48 408.547 9

Activity (Go SEA)

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