UCSF

ZINC17945421

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 19 No

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) 3.41 9.47 -9.93 1 3 0 38 294.445 3
Hi High (pH 8-9.5) 3.87 9.03 -38.73 0 3 -1 41 293.437 3

Activity (Go SEA)

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