UCSF

ZINC25185113

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 Yes

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) 4.16 8.64 -45.33 2 5 1 46 390.454 6
Mid Mid (pH 6-8) 4.16 6.27 -14.23 1 5 0 45 389.446 6

Activity (Go SEA)

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