UCSF

ZINC50027286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) -4.01 2.88 -72.68 3 7 -1 128 229.212 4
Hi High (pH 8-9.5) -4.01 2.52 -111.88 2 7 -2 127 228.204 4

Activity (Go SEA)

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