UCSF

ZINC53147786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.37 8.83 -27.93 2 3 1 31 286.786 4
Mid Mid (pH 6-8) 3.37 8.39 -10.88 1 3 0 29 285.778 4
Mid Mid (pH 6-8) 3.37 9.75 -55.69 2 3 1 34 286.786 4
Lo Low (pH 4.5-6) 3.37 10.19 -106.65 3 3 2 35 287.794 4

Activity (Go SEA)

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