UCSF

ZINC43599261

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 27 No

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) 8.21 14.73 -5.93 1 4 0 51 376.585 18
Lo Low (pH 4.5-6) 8.21 15.2 -34.44 2 4 1 52 377.593 18

Activity (Go SEA)

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