UCSF

ZINC19563883

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 36 Yes

Popular Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholinopropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one 3-[[(1-cyclohexyltetrazol-5-yl)m…

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Download: MOL2 SDF SMILES Flexibase

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) 1.86 7.38 -54.2 2 10 1 103 496.636 10 ↓
Hi High (pH 8-9.5) 1.86 5.18 -15.7 1 10 0 101 495.628 10 ↓
Mid Mid (pH 6-8) 1.86 7.45 -59.44 2 10 1 103 496.636 10 ↓
Lo Low (pH 4.5-6) 1.86 9.66 -136.34 3 10 2 104 497.644 10 ↓

Activity (Go SEA)

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