UCSF

ZINC26399270

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 30 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) 0.59 11.55 -88.93 1 7 0 83 418.375 3
Mid Mid (pH 6-8) 0.59 9.08 -56.84 0 7 -1 82 417.367 3

Activity (Go SEA)

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