UCSF

ZINC39944938

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 19 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) 3.44 6.84 -53.97 0 4 -1 62 254.265 4
Lo Low (pH 4.5-6) 3.44 7.27 -69.44 1 4 0 63 255.273 4

Activity (Go SEA)

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