UCSF

ZINC42691164

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 17 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) 2.43 7.61 -116.82 3 2 2 21 244.329 6
Hi High (pH 8-9.5) 2.43 6.44 -38 2 2 1 16 243.321 6
Hi High (pH 8-9.5) 2.43 4.08 -4.78 1 2 0 15 242.313 6
Mid Mid (pH 6-8) 2.43 5.29 -40.01 2 2 1 20 243.321 6

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