UCSF

ZINC00616200

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

Popular Name: BRD-K66100891-001-01-4 BRD-K66100891-001-01-4

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) 2.91 -5.74 -13.97 5 6 0 106 325.397 4 ↓
Lo Low (pH 4.5-6) 2.91 -5.35 -109.64 7 6 2 109 327.413 4 ↓
Lo Low (pH 4.5-6) 2.91 -5.51 -41.34 6 6 1 108 326.405 4 ↓

Activity (Go SEA)

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