UCSF

ZINC63166396

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 18 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) 1.42 3.56 -49.72 4 4 1 63 248.35 4
Lo Low (pH 4.5-6) 1.42 4.17 -107.33 5 4 2 64 249.358 4

Activity (Go SEA)

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