UCSF

ZINC35148321

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) -0.06 2.11 -33.93 3 5 1 60 211.289 5
Hi High (pH 8-9.5) -0.06 1.64 -13.23 2 5 0 59 210.281 5
Mid Mid (pH 6-8) -0.06 3.45 -110.38 4 5 2 65 212.297 5
Mid Mid (pH 6-8) -0.06 3 -47.52 3 5 1 64 211.289 5

Activity (Go SEA)

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