UCSF

ZINC44362575

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 10 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) 0.78 3.83 -109.72 4 2 2 33 144.262 6
Mid Mid (pH 6-8) 0.78 2.48 -33.42 3 2 1 29 143.254 6
Mid Mid (pH 6-8) 0.78 2.54 -36.27 3 2 1 29 143.254 6

Activity (Go SEA)

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