UCSF

ZINC22787044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.34 8.47 -57.13 2 3 1 35 371.201 4
Hi High (pH 8-9.5) 4.34 7.31 -7.28 1 3 0 30 370.193 4

Activity (Go SEA)

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