UCSF

ZINC77558515

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2012 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.98 3.26 -42.28 3 3 1 48 187.307 4
Mid Mid (pH 6-8) 0.98 2.93 -6.14 2 3 0 46 186.299 4

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