UCSF

ZINC39917170

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.81 10.31 -38.28 1 4 1 26 349.502 4
Mid Mid (pH 6-8) 3.81 11.26 -80.55 2 4 2 27 350.51 4
Mid Mid (pH 6-8) 3.81 10.17 -31.05 1 4 1 26 349.502 4
Mid Mid (pH 6-8) 3.81 7.93 -8.84 0 4 0 24 348.494 4

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