UCSF

ZINC34682000

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.67 10.63 -43.63 3 7 1 79 433.532 7
Hi High (pH 8-9.5) 3.67 11.39 -37 2 7 0 82 432.524 7
Lo Low (pH 4.5-6) 3.67 10.96 -99.97 4 7 2 80 434.54 7

Activity (Go SEA)

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