UCSF

ZINC42681171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 17 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) 1.89 3.66 -29.97 2 3 1 28 241.399 3
Mid Mid (pH 6-8) 1.89 3.71 -32.51 2 3 1 28 241.399 3
Mid Mid (pH 6-8) 1.89 5.91 -93.47 3 3 2 29 242.407 3

Activity (Go SEA)

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