UCSF

ZINC32772059

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 33 Yes

Popular Name: (2S)-N-(1-adamantyl)-2-[[4-(4-chlorophenyl)-5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfa (2S)-N-(1-adamantyl)-2-[[4-(4-ch…

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) 5.19 14.01 -41.96 2 6 1 64 489.109 7 ↓
Mid Mid (pH 6-8) 5.19 11.51 -11.28 1 6 0 63 488.101 7 ↓

Activity (Go SEA)

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