UCSF

ZINC36978745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 0.45 1.24 -100.37 1 8 -2 127 295.295 9
Lo Low (pH 4.5-6) 0.45 0.51 -58.99 2 8 -1 124 296.303 9

Activity (Go SEA)

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