UCSF

ZINC22126849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 No

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) 2.07 4.84 -11.04 0 4 0 42 238.674 3
Mid Mid (pH 6-8) 2.44 2.68 -6.05 1 4 0 47 238.674 3

Activity (Go SEA)

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