UCSF

ZINC13009063

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 28 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) 3.75 8.81 -52.7 2 6 1 63 386.447 5
Mid Mid (pH 6-8) 2.72 4.14 -17.69 1 6 0 65 385.439 5
Mid Mid (pH 6-8) 3.75 6.57 -18.4 1 6 0 62 385.439 5

Activity (Go SEA)

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