UCSF

ZINC25144031

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) 3.23 6.42 -42.26 0 5 -1 74 390.897 6
Mid Mid (pH 6-8) 3.23 6.35 -13.9 1 5 0 72 391.905 6

Activity (Go SEA)

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