UCSF

ZINC43941160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 26 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) 1.85 7.86 -42.84 3 6 1 68 361.51 6
Hi High (pH 8-9.5) 1.85 5.61 -8.13 2 6 0 66 360.502 6

Activity (Go SEA)

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