UCSF

ZINC49525607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2010 22 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) 4.34 10.25 -38.21 1 3 1 31 302.438 4
Hi High (pH 8-9.5) 4.34 8.19 -6.11 0 3 0 30 301.43 4

Activity (Go SEA)

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