UCSF

ZINC26075509

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 31 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) 3.11 7.55 -14.8 1 7 0 71 423.513 6
Mid Mid (pH 6-8) 3.11 9.48 -38.6 2 7 1 72 424.521 6

Activity (Go SEA)

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