UCSF

ZINC00036355

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 18 Yes

Popular Name: Cn1c2c(c(=O)[nH]c1=O)n(cn2)CCCN(C)C Cn1c2c(c(=O)[nH]c1=O)n(cn2)CCCN(C)C

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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) -0.65 5.75 -46.53 2 7 1 77 252.298 4 ↓
Mid Mid (pH 6-8) -0.65 6.24 -104.78 3 7 2 78 253.306 4 ↓

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