UCSF

ZINC25064642

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 29 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) 3.23 5.63 -14.86 2 7 0 91 416.547 6
Mid Mid (pH 6-8) 3.23 5.92 -43.14 3 7 1 93 417.555 6

Activity (Go SEA)

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