UCSF

ZINC35471970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 3.72 10.04 -22.85 1 7 0 75 426.476 5
Lo Low (pH 4.5-6) 3.72 10.45 -52.4 2 7 1 76 427.484 5

Activity (Go SEA)

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