UCSF

ZINC40065938

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 6.45 16.34 -15.52 0 7 0 82 526.633 9
Mid Mid (pH 6-8) 6.45 16.76 -33.19 1 7 1 83 527.641 9

Activity (Go SEA)

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