UCSF

ZINC01042397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 26 No

Other Names:

BRD-K03223111-001-01-4

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) 2.44 6.91 -16.69 1 6 0 84 372.446 5
Mid Mid (pH 6-8) 2.44 6.96 -55.7 0 6 -1 86 371.438 5

Activity (Go SEA)

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