UCSF

ZINC19496841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 26 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) 2.77 5.92 -36.6 2 5 1 46 363.522 6
Mid Mid (pH 6-8) 2.77 6.08 -33.91 2 5 1 46 363.522 6
Lo Low (pH 4.5-6) 2.77 8.31 -101.67 3 5 2 48 364.53 6

Activity (Go SEA)

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