UCSF

ZINC34989507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 39 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) 4.06 13.14 -81.43 1 8 0 93 530.621 12
Lo Low (pH 4.5-6) 4.06 12.39 -61.22 2 8 1 90 531.629 12

Activity (Go SEA)

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