UCSF

ZINC25498647

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 6.66 10.78 -51.46 0 4 -1 58 393.532 7
Mid Mid (pH 6-8) 6.21 11.89 -11.3 1 4 0 55 394.54 7

Activity (Go SEA)

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