UCSF

ZINC13284581

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 29 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) 5.74 10.38 -11.04 1 5 0 56 404.853 4
Mid Mid (pH 6-8) 5.74 10.73 -40.32 2 5 1 58 405.861 4
Lo Low (pH 4.5-6) 5.74 10.83 -36.82 2 5 1 58 405.861 4

Activity (Go SEA)

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