UCSF

ZINC14949095

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

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) 0.16 4.99 -51.28 8 10 1 168 427.57 15
Mid Mid (pH 6-8) 0.03 5.3 -57.32 8 10 1 170 427.57 14
Lo Low (pH 4.5-6) 0.16 5.61 -96.89 9 10 2 173 428.578 15
Lo Low (pH 4.5-6) 0.03 5.42 -99.25 9 10 2 175 428.578 14

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

No pre-computed analogs available. Try a structural similarity search.