UCSF

ZINC40291580

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 17 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) 0.63 4.29 -28.8 4 5 1 80 234.327 4
Mid Mid (pH 6-8) 0.63 4.16 -7.46 3 5 0 79 233.319 4
Lo Low (pH 4.5-6) 0.63 4.27 -90.51 5 5 2 82 235.335 4

Activity (Go SEA)

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