UCSF

ZINC08980364

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 35 No

Popular Name: 5-(4-chlorophenyl)-4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-methylene] 5-(4-chlorophenyl)-4-[hydroxy-(8…

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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) 3.03 9.14 -58.42 0 8 -1 90 493.971 7 ↓
Mid Mid (pH 6-8) 3.47 11.48 -46.79 2 8 1 89 495.987 6 ↓
Mid Mid (pH 6-8) 3.47 11.9 -93.91 3 8 2 90 496.995 6 ↓
Mid Mid (pH 6-8) 3.03 11.47 -74.42 1 8 0 91 494.979 7 ↓

Activity (Go SEA)

Rings

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