UCSF

ZINC62954961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 3.48 10.59 -49.22 1 3 1 45 285.411 5
Mid Mid (pH 6-8) 3.48 8.41 -8.72 0 3 0 44 284.403 5

Activity (Go SEA)

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