UCSF

ZINC40116721

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 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) 2.79 5.64 -53.71 1 4 -1 69 312.732 3
Lo Low (pH 4.5-6) 2.79 4.87 -12.06 2 4 0 66 313.74 3

Activity (Go SEA)

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