UCSF

ZINC04239234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 25 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) 2.81 6.45 -17.3 2 6 0 76 336.395 6
Lo Low (pH 4.5-6) 2.81 6.79 -32.45 3 6 1 77 337.403 6

Activity (Go SEA)

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