UCSF

ZINC20494200

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 33 No

Popular Name: (1S,4R,5R,6S)-6-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]h (1S,4R,5R,6S)-6-[4-(3-chloro-6-n…

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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) 3.58 11.45 -52.43 0 9 -1 127 488.929 4 ↓
Lo Low (pH 4.5-6) 3.58 10.33 -17.04 1 9 0 124 489.937 4 ↓

Activity (Go SEA)

Rings

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