UCSF

ZINC23014154

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 24 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) 2.48 8.99 -51.78 2 7 1 89 356.83 7
Hi High (pH 8-9.5) 2.48 6.64 -16.03 1 7 0 87 355.822 7

Activity (Go SEA)

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