UCSF

ZINC63753175

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 28 No

Popular Name: (3R)-N-[4-[(2R)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl]phenyl]-3,5-dimethyl-3H-pyrazole-4-sulfo (3R)-N-[4-[(2R)-6-methoxy-2,3-di…

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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) 3.67 3.42 -38.63 1 7 -1 94 415.52 5 ↓
Lo Low (pH 4.5-6) 3.67 2.73 -12.05 2 7 0 92 416.528 5 ↓

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

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