UCSF

ZINC41542867

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 9.62 -72.03 1 7 0 83 454.498 8
Lo Low (pH 4.5-6) 2.99 8.87 -56.34 2 7 1 81 455.506 8

Activity (Go SEA)

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