UCSF

ZINC59991006

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 12 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) 0.64 1.63 -35.53 2 3 1 35 172.248 1
Hi High (pH 8-9.5) 0.64 0.35 -2.59 1 3 0 30 171.24 1

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