UCSF

ZINC36300363

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) -0.44 1.94 -75.63 3 6 0 89 257.334 7
Mid Mid (pH 6-8) -0.44 4.16 -123.34 4 6 1 90 258.342 7
Lo Low (pH 4.5-6) -0.44 -0.04 -48.37 4 6 1 86 258.342 7

Activity (Go SEA)

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