UCSF

ZINC20543001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 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) 3.20 10.23 -119.87 3 3 2 30 300.446 8
Hi High (pH 8-9.5) 3.20 6.15 -4.66 1 3 0 24 298.43 8
Mid Mid (pH 6-8) 3.20 8.14 -42.15 2 3 1 29 299.438 8

Activity (Go SEA)

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