UCSF

ZINC49283311

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 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) 2.84 8.72 -9.56 1 3 0 38 272.373 2
Mid Mid (pH 6-8) 3.57 8.43 -39.41 0 3 -1 35 271.365 2

Activity (Go SEA)

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