UCSF

ZINC14141375

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 30 No

Popular Name: (4S)-4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one (4S)-4-tridecyl-1,5,9,13-tetraza…

Find On: PubMed — Wikipedia — Google

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) 6.72 10.38 -210.02 7 5 3 79 427.742 12 ↓
Hi High (pH 8-9.5) 6.72 7.95 -40.19 5 5 1 70 425.726 12 ↓
Mid Mid (pH 6-8) 6.72 9.33 -109.67 6 5 2 74 426.734 12 ↓
Mid Mid (pH 6-8) 6.72 9 -104.21 6 5 2 74 426.734 12 ↓

Activity (Go SEA)

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