UCSF

ZINC51410419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 19 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) 0.93 4.65 -11.92 2 5 0 67 259.309 5
Mid Mid (pH 6-8) 0.93 5.46 -42.14 3 5 1 68 260.317 5

Activity (Go SEA)

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