UCSF

ZINC19281045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 12 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) 0.32 1.42 -103.26 5 3 2 52 176.304 7
Mid Mid (pH 6-8) 0.32 0.83 -29.84 4 3 1 51 175.296 7

Activity (Go SEA)

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