UCSF

ZINC45371133

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 39 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) 9.20 21.31 -21.65 2 5 1 57 526.745 12
Mid Mid (pH 6-8) 9.20 21.37 -36.43 2 5 1 60 526.745 12
Mid Mid (pH 6-8) 9.20 21.2 -18.05 1 5 0 56 525.737 12
Lo Low (pH 4.5-6) 9.20 21.32 -82.06 3 5 2 61 527.753 12

Activity (Go SEA)

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