UCSF

ZINC29416875

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 22 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) 4.28 11.56 -41.26 1 4 1 40 324.828 8
Mid Mid (pH 6-8) 4.28 9.24 -7.62 0 4 0 39 323.82 8

Activity (Go SEA)

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