UCSF

ZINC46341330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2010 19 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) 3.23 10.37 -85.6 2 3 2 22 257.381 1
Hi High (pH 8-9.5) 3.23 8.03 -7.29 0 3 0 19 255.365 1
Mid Mid (pH 6-8) 3.23 10.03 -42.04 1 3 1 21 256.373 1

Activity (Go SEA)

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