UCSF

ZINC31891612

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) 0.91 5.22 -91.34 4 2 2 32 204.383 5
Hi High (pH 8-9.5) 0.91 2.96 -44.71 3 2 1 31 203.375 5

Activity (Go SEA)

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