UCSF

ZINC12561811

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 No

Popular Name: BRD-A87890621-001-01-4 BRD-A87890621-001-01-4

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01164864

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) 3.40 8.72 -6.91 0 4 0 41 298.386 2 ↓
Ref Reference (pH 7) 3.40 8.72 -6.9 0 4 0 41 298.386 2 ↓
Ref Reference (pH 7) 3.40 8.76 -8.72 0 4 0 41 298.386 2 ↓

Activity (Go SEA)

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