UCSF

ZINC36747232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 13 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) -1.34 -0.46 -33.52 4 5 1 74 183.235 5
Hi High (pH 8-9.5) -1.34 -0.93 -13.15 3 5 0 73 182.227 5
Mid Mid (pH 6-8) -1.34 0.89 -110.97 5 5 2 79 184.243 5
Mid Mid (pH 6-8) -1.34 0.44 -47.75 4 5 1 78 183.235 5

Activity (Go SEA)

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