UCSF

ZINC19845234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.78 4.55 -47.03 0 5 -1 80 238.654 4
Lo Low (pH 4.5-6) 0.78 5 -47.81 1 5 0 81 239.662 4

Activity (Go SEA)

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