UCSF

ZINC22530721

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 22 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) 2.86 6.55 -14.27 1 4 0 45 303.312 3
Mid Mid (pH 6-8) 2.86 6.76 -44.7 2 4 1 46 304.32 3

Activity (Go SEA)

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