UCSF

ZINC38024407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 20 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) -0.41 1.18 -52.24 0 8 -1 105 282.276 7
Lo Low (pH 4.5-6) -0.41 0.46 -17.79 1 8 0 102 283.284 7

Activity (Go SEA)

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