UCSF

ZINC25407655

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 No

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) 2.29 5.12 -7.71 2 8 0 99 364.446 6
Mid Mid (pH 6-8) 2.29 6.79 -43.45 3 8 1 101 365.454 6

Activity (Go SEA)

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