UCSF

ZINC58994669

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2011 16 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) -0.10 6 -49.57 1 4 1 38 222.312 5
Lo Low (pH 4.5-6) -0.10 6.47 -100.26 2 4 2 39 223.32 5

Activity (Go SEA)

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