UCSF

ZINC63753185

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 27 No

Popular Name: (3S)-N-[4-[(2R)-6-chloro-2,3-dihydro-1,3-benzothiazol-2-yl]phenyl]-3,5-dimethyl-3H-pyrazole-4-sulfon (3S)-N-[4-[(2R)-6-chloro-2,3-dih…

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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) 4.29 4.56 -36.21 1 6 -1 85 419.939 4 ↓
Lo Low (pH 4.5-6) 4.29 3.86 -10.96 2 6 0 83 420.947 4 ↓

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

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