UCSF

ZINC57526369

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 26 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) 2.01 9.28 -48.61 2 6 1 60 357.478 4
Hi High (pH 8-9.5) 2.01 7.03 -25.64 1 6 0 59 356.47 4
Mid Mid (pH 6-8) 2.20 8.31 -45.86 1 6 0 67 356.47 4

Activity (Go SEA)

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