UCSF

ZINC13115892

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 29 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) 4.10 11.75 -13.54 1 5 0 71 380.451 5
Mid Mid (pH 6-8) 4.10 12.45 -41.64 2 5 1 72 381.459 5

Activity (Go SEA)

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