UCSF

ZINC22796688

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 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) 2.43 8.2 -46.64 4 7 1 82 448.591 8
Mid Mid (pH 6-8) 2.43 5.73 -12.03 3 7 0 80 447.583 8

Activity (Go SEA)

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