UCSF

ZINC52754164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 25 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) 3.36 10.99 -12.26 0 5 0 49 344.503 5
Mid Mid (pH 6-8) 3.36 11.47 -35.37 1 5 1 51 345.511 5

Activity (Go SEA)

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