UCSF

ZINC49067066

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) 0.19 1.46 -48.88 4 6 1 90 271.366 6
Hi High (pH 8-9.5) 0.75 -1.01 -17.34 3 6 0 92 270.358 5
Mid Mid (pH 6-8) 0.01 0.75 -40.82 3 6 0 96 270.358 6

Activity (Go SEA)

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