UCSF

ZINC12696464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 18 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) 0.92 2.81 -10.77 1 6 0 68 253.302 3
Lo Low (pH 4.5-6) 0.92 5.09 -45.27 2 6 1 69 254.31 3

Activity (Go SEA)

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