UCSF

ZINC14235231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 32 Yes

Popular Name: N-[3-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide N-[3-(4,5-dihydro-3H-pyrrol-2-yl…

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) 0.95 2.92 -70.06 3 10 0 147 455.496 7 ↓
Mid Mid (pH 6-8) 1.60 3.08 -59.99 2 10 -1 146 454.488 6 ↓
Lo Low (pH 4.5-6) 1.60 1.97 -33.62 3 10 0 143 455.496 6 ↓

Activity (Go SEA)

Rings

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

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