UCSF

ZINC60392785

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2011 51 No

CAS Numbers: 193901-90-5 , 211570-55-7

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) -4.58 11.72 -190.91 3 17 -3 264 734.672 23
Hi High (pH 8-9.5) -4.58 15.68 -419.75 1 17 -5 270 732.656 23
Mid Mid (pH 6-8) -4.58 17.55 -283.2 2 17 -4 271 733.664 23

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

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