UCSF

ZINC39229771

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 3.32 8.44 -47.48 3 5 1 62 359.538 4
Hi High (pH 8-9.5) 3.32 7.18 -8.41 2 5 0 57 358.53 4

Activity (Go SEA)

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