UCSF

ZINC34920518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 0.49 3.34 -22.42 1 10 0 105 496.564 6
Mid Mid (pH 6-8) 0.49 5.6 -68.18 2 10 1 106 497.572 6

Activity (Go SEA)

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