UCSF

ZINC39228576

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 5.11 13.64 -47.99 2 4 1 53 394.498 4
Mid Mid (pH 6-8) 5.11 11.85 -9.15 1 4 0 52 393.49 4

Activity (Go SEA)

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