UCSF

ZINC36782473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.40 5.08 -49.62 2 6 -1 98 295.359 6
Lo Low (pH 4.5-6) 1.40 3.21 -12.58 3 6 0 95 296.367 6

Activity (Go SEA)

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