UCSF

ZINC59379183

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 20 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) 5.45 9.4 -121.17 4 2 2 32 284.532 9
Mid Mid (pH 6-8) 5.45 9.04 -29.79 3 2 1 30 283.524 9
Mid Mid (pH 6-8) 5.45 7.73 -41.02 3 2 1 31 283.524 9

Activity (Go SEA)

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