UCSF

ZINC23119805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 19 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) 1.24 6.21 -45.62 3 4 1 52 258.345 3
Mid Mid (pH 6-8) 1.24 3.78 -11.26 2 4 0 51 257.337 3

Activity (Go SEA)

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