UCSF

ZINC62954900

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 3.39 9.72 -39.28 1 2 1 22 246.374 4
Mid Mid (pH 6-8) 3.39 7.54 -6.69 0 2 0 20 245.366 4

Activity (Go SEA)

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