UCSF

ZINC49340474

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) -0.24 -3.23 -68.13 3 7 -1 101 282.301 2
Mid Mid (pH 6-8) -0.96 -2.88 -37.25 4 7 0 104 283.309 2

Activity (Go SEA)

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