UCSF

ZINC63941653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 24 No

Popular Name: (5R,6R)-6-amino-1,3-dimethyl-5-[2-[(2R)-2-(3H-pyrrol-2-yl)pyrrolidin-1-yl]acetyl]hexahydropyrimidine (5R,6R)-6-amino-1,3-dimethyl-5-[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.14 1.49 -34.01 3 8 0 107 333.392 4 ↓
Mid Mid (pH 6-8) -1.14 2.53 -55.01 2 8 -1 105 332.384 4 ↓
Lo Low (pH 4.5-6) -1.14 3.63 -48.45 4 8 1 108 334.4 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.