UCSF

ZINC49661944

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 14 Yes

Popular Name: (6S)-1-(cyclopentylmethyl)-6-methyl-1,4-diazepane (6S)-1-(cyclopentylmethyl)-6-met…

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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) 2.17 4.81 -36.92 2 2 1 20 197.346 2 ↓
Hi High (pH 8-9.5) 2.17 3.44 -0.62 1 2 0 15 196.338 2 ↓
Mid Mid (pH 6-8) 2.17 5.29 -32.04 2 2 1 16 197.346 2 ↓
Lo Low (pH 4.5-6) 2.17 6.64 -109.99 3 2 2 21 198.354 2 ↓

Activity (Go SEA)

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