UCSF

ZINC35323757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) 1.93 2.93 -94.37 0 6 -2 106 261.233 6
Mid Mid (pH 6-8) 1.47 5.55 -52.63 1 6 -1 103 262.241 6
Lo Low (pH 4.5-6) 1.47 3.57 -17.4 2 6 0 100 263.249 6

Activity (Go SEA)

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