UCSF

ZINC39228407

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 3.07 8.17 -47.56 4 6 1 79 396.511 4
Hi High (pH 8-9.5) 3.07 6.06 -15.99 3 6 0 78 395.503 4

Activity (Go SEA)

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