UCSF

ZINC59332767

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 19 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) 2.82 6.03 -47.17 3 3 1 44 264.437 10
Mid Mid (pH 6-8) 2.82 6.12 -93.61 4 3 2 45 265.445 10
Lo Low (pH 4.5-6) 2.82 7.81 -125.06 4 3 2 45 265.445 10

Activity (Go SEA)

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