UCSF

ZINC04698593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 17 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) 3.68 5.61 -8.28 2 3 0 45 250.729 4
Mid Mid (pH 6-8) 3.75 2.68 -6.72 2 3 0 48 250.729 4

Activity (Go SEA)

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