UCSF

ZINC42944918

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 1.45 6.63 -126.95 4 3 2 41 284.831 4
Hi High (pH 8-9.5) 1.45 6.3 -38.15 3 3 1 40 283.823 4
Mid Mid (pH 6-8) 1.45 4.06 -45.85 3 3 1 40 283.823 4

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