UCSF

ZINC39228632

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 19 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) 0.94 0.84 -13.55 3 5 0 71 259.309 3
Mid Mid (pH 6-8) 0.94 3.01 -47.06 4 5 1 73 260.317 3

Activity (Go SEA)

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