UCSF

ZINC58213018

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 25 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) 1.76 8.19 -24.93 1 5 0 62 337.423 6
Lo Low (pH 4.5-6) 1.76 8.65 -40.54 2 5 1 64 338.431 6

Activity (Go SEA)

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