UCSF

ZINC43411577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) -0.69 -2.96 -38.3 4 4 1 60 191.295 6
Mid Mid (pH 6-8) -0.69 -2.14 -31.37 4 4 1 57 191.295 6
Lo Low (pH 4.5-6) -0.69 -0.89 -109.23 5 4 2 61 192.303 6

Activity (Go SEA)

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