UCSF

ZINC34933373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 3.22 10.29 -79.47 1 9 0 102 512.603 13
Lo Low (pH 4.5-6) 3.22 9.53 -55.41 2 9 1 99 513.611 13

Activity (Go SEA)

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