UCSF

ZINC22633493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 27 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) 3.54 10.31 -46.48 3 4 1 46 376.505 3
Mid Mid (pH 6-8) 3.54 7.93 -15.05 2 4 0 44 375.497 3

Activity (Go SEA)

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