UCSF

ZINC39241001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 21 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) 4.83 12.3 -31.48 1 1 1 4 316.515 2
Mid Mid (pH 6-8) 4.83 9.98 -3.65 0 1 0 3 315.507 2

Activity (Go SEA)

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