UCSF

ZINC25402691

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 33 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) 2.65 6.71 -17.34 1 7 0 83 466.607 7
Mid Mid (pH 6-8) 2.65 8.99 -59.61 2 7 1 84 467.615 7

Activity (Go SEA)

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