UCSF

ZINC60046852

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 41 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) -3.82 6.69 -129.29 4 15 -1 197 588.727 26
Mid Mid (pH 6-8) -3.82 8.76 -157.48 5 15 0 198 589.735 26

Activity (Go SEA)

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