UCSF

ZINC38966381

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 25 No

Popular Name: (5S)-4-[(E)-(4-nitrophenyl)methyleneamino]-5-[(3R)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-1,5- (5S)-4-[(E)-(4-nitrophenyl)methy…

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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) 2.52 5.29 -39.64 1 9 -1 111 356.391 4 ↓
Mid Mid (pH 6-8) 2.52 5.91 -14.03 2 9 0 112 357.399 4 ↓

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

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