UCSF

ZINC22141387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) -2.79 1.91 -55.47 2 7 -1 107 226.212 6
Mid Mid (pH 6-8) -2.79 2.42 -70.47 3 7 0 108 227.22 6
Mid Mid (pH 6-8) -2.79 3.01 -64.98 2 7 -1 107 226.212 6

Activity (Go SEA)

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