UCSF

ZINC36790164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.55 5.17 -128.61 4 3 2 41 252.402 7
Hi High (pH 8-9.5) 2.55 4.8 -32.33 3 3 1 40 251.394 7
Hi High (pH 8-9.5) 2.55 4 -45.67 3 3 1 40 251.394 7

Activity (Go SEA)

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