UCSF

ZINC19865639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 15 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) 1.24 3.52 -28.07 4 4 1 61 208.285 5
Ref Reference (pH 7) 1.11 3.79 -23.67 4 4 0 63 208.285 4
Hi High (pH 8-9.5) 1.11 3.69 -6.57 3 4 0 62 207.277 4
Mid Mid (pH 6-8) 1.24 3.63 -17.44 5 4 0 62 209.293 5

Activity (Go SEA)

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