UCSF

ZINC00079015

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Other Names:

BRD-K10012074-001-01-7

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) 2.08 4.21 -9.54 1 3 0 46 206.27 2
Hi High (pH 8-9.5) 2.54 2.39 -48.09 0 3 -1 49 205.262 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.