UCSF

ZINC36346856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 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) 2.40 7.07 -9.54 1 4 0 55 303.365 4
Lo Low (pH 4.5-6) 2.40 7.54 -42.5 2 4 1 56 304.373 4

Activity (Go SEA)

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