UCSF

ZINC43973453

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 27 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) 3.22 10.6 -48.25 2 5 1 48 370.517 8
Hi High (pH 8-9.5) 3.22 8.33 -12.2 1 5 0 47 369.509 8

Activity (Go SEA)

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