UCSF

ZINC41549234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 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) 4.02 7.4 -8.8 2 6 0 91 415.902 2
Hi High (pH 8-9.5) 4.21 6.04 -37.66 1 6 -1 98 414.894 2

Activity (Go SEA)

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