UCSF

ZINC66111304

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 14 No

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) -0.18 0.51 -35.25 5 5 1 75 203.31 8
Hi High (pH 8-9.5) -0.18 -1.6 -5.56 4 5 0 74 202.302 8
Hi High (pH 8-9.5) -0.18 -1.93 -5.43 4 5 0 74 202.302 8
Mid Mid (pH 6-8) -0.18 -0.29 -44.34 5 5 1 78 203.31 8
Mid Mid (pH 6-8) -0.18 1.84 -115.19 6 5 2 80 204.318 8
Mid Mid (pH 6-8) -0.18 1.51 -114.17 6 5 2 80 204.318 8
Mid Mid (pH 6-8) -0.18 -0.63 -42.63 5 5 1 78 203.31 8

Activity (Go SEA)

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