UCSF

ZINC43448149

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) -0.01 5.41 -108.01 4 4 2 52 245.411 9
Hi High (pH 8-9.5) -0.01 5.02 -39.35 3 4 1 51 244.403 9
Mid Mid (pH 6-8) -0.01 3.48 -49.16 3 4 1 51 244.403 9

Activity (Go SEA)

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