UCSF

ZINC22067830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 2.53 7.47 -42.14 2 4 1 37 288.415 3
Mid Mid (pH 6-8) 2.53 5 -10.37 1 4 0 36 287.407 3

Activity (Go SEA)

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