UCSF

ZINC59338869

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 17 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) 4.04 7.93 -117.08 4 2 2 32 244.467 10
Mid Mid (pH 6-8) 4.04 8.48 -27.2 3 2 1 30 243.459 10
Mid Mid (pH 6-8) 4.04 6.96 -41.59 3 2 1 31 243.459 10

Activity (Go SEA)

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