UCSF

ZINC31995435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.21 11.89 -174 4 3 3 25 330.54 5
Hi High (pH 8-9.5) 2.21 10.7 -102.45 3 3 2 21 329.532 5
Hi High (pH 8-9.5) 2.21 9.91 -86.28 3 3 2 24 329.532 5

Activity (Go SEA)

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