UCSF

ZINC19961402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 Yes

Popular Name: (5R,6S)-2-anilino-5-(3-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[6,5-d]pyrimidine-6-carbonitr (5R,6S)-2-anilino-5-(3-chlorophe…

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) 3.46 9.78 -18.58 3 7 0 111 391.818 3 ↓
Mid Mid (pH 6-8) 3.91 8.61 -38.09 2 7 -1 114 390.81 3 ↓

Activity (Go SEA)

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

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