UCSF

ZINC01850621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 Yes

Popular Name: BAY-4503 BAY-4503

Find On: PubMed — Wikipedia — Google

CAS Number: 13717-04-9

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) 1.94 3.04 -32.51 1 4 1 37 276.404 5 ↓
Lo Low (pH 4.5-6) 1.94 2.92 -90.06 2 4 2 38 277.412 5 ↓

Activity (Go SEA)

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