UCSF

ZINC01197189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 21 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) 2.27 0.47 -9.2 0 4 0 51 316.769 2
Lo Low (pH 4.5-6) 2.27 0.58 -49.36 1 4 1 53 317.777 2

Activity (Go SEA)

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