UCSF

ZINC13127579

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 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) 3.03 8.3 -18.37 0 8 0 84 365.393 5
Mid Mid (pH 6-8) 3.03 8.51 -28.59 2 8 1 88 366.401 5
Mid Mid (pH 6-8) 3.03 8.17 -37.35 1 8 1 85 366.401 5

Activity (Go SEA)

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