UCSF

ZINC39228409

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 3.34 10.45 -46.8 3 6 1 74 459.614 4
Hi High (pH 8-9.5) 3.34 8.32 -17.64 2 6 0 72 458.606 4
Lo Low (pH 4.5-6) 3.34 10.81 -82.75 4 6 2 75 460.622 4

Activity (Go SEA)

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