UCSF

ZINC52480999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 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) 1.41 8.15 -94.87 3 3 2 34 257.381 6
Hi High (pH 8-9.5) 1.41 4.37 -5.11 1 3 0 28 255.365 6
Mid Mid (pH 6-8) 1.41 5.81 -40.7 2 3 1 33 256.373 6

Activity (Go SEA)

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