UCSF

ZINC55916183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2010 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) 3.17 6.61 -12.04 3 5 0 75 357.498 6
Lo Low (pH 4.5-6) 3.17 7.21 -44.02 4 5 1 77 358.506 6

Activity (Go SEA)

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