UCSF

ZINC45375457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 14 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) -0.71 -0.07 -5.18 2 5 0 65 202.254 5
Mid Mid (pH 6-8) -0.71 0.34 -41.96 3 5 1 66 203.262 5
Lo Low (pH 4.5-6) -0.71 1.92 -40.73 3 5 1 66 203.262 5
Lo Low (pH 4.5-6) -0.71 2.27 -124.89 4 5 2 68 204.27 5

Activity (Go SEA)

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