UCSF

ZINC25918662

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 33 Yes

Popular Name: (2R)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-3-(1H-indol-3-yl)-2-ureido-propanam (2R)-N-[(2S)-2-(3,4-dihydro-1H-i…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.95 9.54 -51.34 6 7 1 104 448.591 8 ↓
Mid Mid (pH 6-8) 2.95 6.56 -15.94 5 7 0 103 447.583 8 ↓

Activity (Go SEA)

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