UCSF

ZINC29835653

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 26 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) 3.77 6.77 -20.32 2 6 0 84 346.342 4
Mid Mid (pH 6-8) 4.23 5.03 -62.52 1 6 -1 87 345.334 4

Activity (Go SEA)

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