UCSF

ZINC71792244

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2012 28 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) -5.07 -9.39 -452.22 5 18 -5 322 495.032 8
Ref Reference (pH 7) -5.07 -9.39 -454.7 5 18 -5 322 495.032 8
Mid Mid (pH 6-8) -5.07 -7.1 -804.06 3 18 -7 327 493.016 8
Lo Low (pH 4.5-6) -5.07 -10.53 -297.19 6 18 -4 319 496.04 8

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

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