UCSF

ZINC09560709

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 32 Yes

Popular Name: N-benzhydryl-3-chloro-8-(4-methylsulfanylphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine N-benzhydryl-3-chloro-8-(4-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) 7.20 16.89 -9.5 1 3 0 29 456.014 6 ↓
Mid Mid (pH 6-8) 7.20 17.33 -30.95 2 3 1 31 457.022 6 ↓

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

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