UCSF

ZINC43905543

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 3.14 8.98 -115 3 3 2 34 260.381 6
Mid Mid (pH 6-8) 3.14 6.77 -40.28 2 3 1 33 259.373 6
Mid Mid (pH 6-8) 3.14 7.69 -38.19 2 3 1 30 259.373 6

Activity (Go SEA)

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