UCSF

ZINC43424997

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.77 -2.7 -45.57 4 4 1 60 201.29 3
Hi High (pH 8-9.5) -0.77 -3.16 -4.44 3 4 0 59 200.282 3
Mid Mid (pH 6-8) -0.77 -0.42 -106.32 5 4 2 62 202.298 3

Activity (Go SEA)

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