UCSF

ZINC21670068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 27 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) 3.11 4.71 -49.85 0 7 -1 93 430.234 4
Lo Low (pH 4.5-6) 2.65 6.47 -13.67 1 7 0 90 431.242 4

Activity (Go SEA)

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