UCSF

ZINC22241826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 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) 1.66 6.96 -45.09 1 4 1 28 308.471 3
Mid Mid (pH 6-8) 1.66 4.61 -9.03 0 4 0 27 307.463 3

Activity (Go SEA)

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