UCSF

ZINC69775123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 Yes

Popular Name: 4-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[4-(1H-benzimidazol-2-yl)-1,4-…

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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) 2.45 11.72 -34.95 3 7 1 78 334.407 2 ↓
Mid Mid (pH 6-8) 2.45 11.32 -18.49 2 7 0 77 333.399 2 ↓
Lo Low (pH 4.5-6) 2.45 12.19 -75.36 4 7 2 79 335.415 2 ↓

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

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