UCSF

ZINC37021629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 4.40 9.39 -105.27 3 2 2 21 266.473 3
Hi High (pH 8-9.5) 4.40 6.96 -30.06 2 2 1 20 265.465 3
Hi High (pH 8-9.5) 4.40 8.74 -33.02 2 2 1 16 265.465 3

Activity (Go SEA)

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