UCSF

ZINC22999840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 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) 2.55 5.45 -42.26 2 5 1 60 392.339 7
Hi High (pH 8-9.5) 2.55 3.11 -9.89 1 5 0 59 391.331 7

Activity (Go SEA)

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