UCSF

ZINC34681527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 4.29 10.17 -14.73 1 5 0 48 424.907 5
Mid Mid (pH 6-8) 4.29 12.41 -53.67 2 5 1 50 425.915 5
Lo Low (pH 4.5-6) 4.29 12.73 -114.12 3 5 2 51 426.923 5

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