UCSF

ZINC22220148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 0.00 4.09 -51.6 0 4 -1 56 225.293 2
Mid Mid (pH 6-8) 0.00 4.5 -39.14 1 4 0 58 226.301 2

Activity (Go SEA)

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