UCSF

ZINC08692792

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 26 Yes

Popular Name: N-(2-cyanoethyl)-2-[(2-hydroxy-9-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-4-yl)sul N-(2-cyanoethyl)-2-[(2-hydroxy-9…

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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) 2.75 8.02 -21.9 1 6 0 90 384.486 6 ↓
Mid Mid (pH 6-8) 3.21 6.78 -49.93 0 6 -1 93 383.478 6 ↓

Activity (Go SEA)

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