UCSF

ZINC31157687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 26 Yes

Other Names:

BRD-A97999404-001-01-4

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) 4.46 11.76 -53.83 0 4 -1 66 359.486 3
Lo Low (pH 4.5-6) 4.46 9.76 -8.11 1 4 0 64 360.494 3

Activity (Go SEA)

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

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