UCSF

ZINC05949568

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 28 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) 4.19 13.07 -10.19 1 4 0 37 411.958 9
Lo Low (pH 4.5-6) 4.19 13.35 -46.81 2 4 1 39 412.966 9

Activity (Go SEA)

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