UCSF

ZINC05332444

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 26 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) 4.18 8.59 -43.72 0 7 -1 107 388.45 6
Mid Mid (pH 6-8) 5.11 8.87 -11.11 1 7 0 108 389.458 5

Activity (Go SEA)

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