UCSF

ZINC38577072

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 No

Popular Name: (4S,7aR)-6-amino-4-(3-bromophenyl)-3-(methoxymethyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitril (4S,7aR)-6-amino-4-(3-bromopheny…

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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) 2.64 -0.4 -8.68 2 6 0 93 361.199 3 ↓
Lo Low (pH 4.5-6) 2.64 -0.03 -52.16 3 6 1 95 362.207 3 ↓

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

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