UCSF

ZINC02002765

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 17 No

Popular Name: BAY-G-2821 BAY-G-2821

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CAS Number: 55294-15-0

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) 2.35 5.86 -9.33 2 4 0 59 272.135 2 ↓
Mid Mid (pH 6-8) 3.14 4.15 -42.14 2 4 -1 67 271.127 2 ↓

Activity (Go SEA)

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