UCSF

ZINC45655302

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.50 5.86 -112.2 4 4 2 50 257.422 7
Hi High (pH 8-9.5) 1.50 2.31 -7.06 2 4 0 44 255.406 7
Mid Mid (pH 6-8) 1.50 4.65 -35.81 3 4 1 46 256.414 7
Lo Low (pH 4.5-6) 1.51 3.5 -44.64 3 4 1 49 256.414 7

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