UCSF

ZINC21548620

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 23 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) 1.63 0.75 -8.83 2 5 0 56 322.449 8
Mid Mid (pH 6-8) 1.63 3.09 -44.33 3 5 1 57 323.457 8
Mid Mid (pH 6-8) 1.63 3.14 -37.92 3 5 1 57 323.457 8

Activity (Go SEA)

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