UCSF

ZINC06187052

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 29 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) 5.39 11.36 -58.01 0 4 -1 60 394.466 8
Lo Low (pH 4.5-6) 5.39 10.53 -11.14 1 4 0 58 395.474 8

Activity (Go SEA)

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