UCSF

ZINC22514408

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 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) 3.19 5.37 -37.43 0 5 -1 69 461.155 4
Mid Mid (pH 6-8) 3.19 5.3 -13.1 1 5 0 66 462.163 4

Activity (Go SEA)

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