UCSF

ZINC14083173

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 24 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) 3.12 9.31 -16.32 1 5 0 72 366.508 5
Hi High (pH 8-9.5) 3.57 7.77 -61.99 0 5 -1 75 365.5 5

Activity (Go SEA)

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