UCSF

ZINC37816849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.61 5.62 -40.42 2 4 1 40 266.409 5
Hi High (pH 8-9.5) 1.61 6.64 -43.63 2 4 1 37 266.409 5
Hi High (pH 8-9.5) 1.61 4.43 -6.76 1 4 0 36 265.401 5
Mid Mid (pH 6-8) 1.61 7.82 -100.15 3 4 2 41 267.417 5

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