UCSF

ZINC00203679

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 1.18 8.34 -25.91 5 5 1 76 246.338 2
Hi High (pH 8-9.5) 1.18 7.71 -13.48 4 5 0 78 245.33 2

Activity (Go SEA)

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