UCSF

ZINC05836367

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 23 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) 3.14 10.24 -45.06 1 3 1 23 310.417 2
Mid Mid (pH 6-8) 3.14 7.89 -7.49 0 3 0 22 309.409 2

Activity (Go SEA)

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