UCSF

ZINC41543771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 33 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) 2.99 10.62 -65.53 2 7 0 90 451.567 7
Lo Low (pH 4.5-6) 2.99 9.87 -45.33 3 7 1 87 452.575 7

Activity (Go SEA)

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