UCSF

ZINC43444346

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.32 2.14 -38.75 4 5 1 67 237.327 4
Hi High (pH 8-9.5) 0.32 -0.06 -7.13 3 5 0 66 236.319 4
Mid Mid (pH 6-8) 0.32 2.46 -89.55 5 5 2 68 238.335 4
Mid Mid (pH 6-8) 0.32 0.23 -28.32 4 5 1 67 237.327 4

Activity (Go SEA)

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