UCSF

ZINC02091085

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 28 Yes

Popular Name: Cn1c2c(c(=O)n(c1=O)C)n(cn2)CN3C[C@H]4C[C@@H](C3)c5cccc(=O)n5C4 Cn1c2c(c(=O)n(c1=O)C)n(cn2)CN3C[…

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) 0.60 0.73 -58.86 1 9 1 88 383.432 2 ↓
Mid Mid (pH 6-8) 0.60 1.01 -142.57 2 9 2 89 384.44 2 ↓

Activity (Go SEA)

Rings

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

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