UCSF

ZINC34964800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 5.13 11.59 -11.49 0 2 0 26 376.344 9
Lo Low (pH 4.5-6) 5.13 11.94 -38.95 1 2 1 27 377.352 9

Activity (Go SEA)

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