UCSF

ZINC42162136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) -1.08 1.43 -43.79 2 8 -1 122 239.211 3
Mid Mid (pH 6-8) -0.62 -0.24 -96.62 1 8 -2 125 238.203 3
Lo Low (pH 4.5-6) -1.08 -0.56 -8.46 3 8 0 119 240.219 3

Activity (Go SEA)

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