UCSF

ZINC01119836

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 26 No

Popular Name: BRD-A13429968-001-01-1 BRD-A13429968-001-01-1

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Other Names:

MFCD03717722

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) 2.57 7.22 -60.3 0 6 -1 87 368.39 5 ↓
Mid Mid (pH 6-8) 1.98 0.31 -23.14 0 6 0 80 369.398 5 ↓

Activity (Go SEA)

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