UCSF

ZINC45689385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.15 5.91 -39.97 3 5 1 52 240.375 6
Hi High (pH 8-9.5) 1.15 3.45 -4.87 2 5 0 50 239.367 6
Mid Mid (pH 6-8) 1.15 6.03 -82.39 4 5 2 53 241.383 6

Activity (Go SEA)

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