UCSF

ZINC11890722

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 17 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) -0.13 -0.68 -59.58 0 4 -1 60 297.128 2
Mid Mid (pH 6-8) 2.21 5.4 -22.89 2 6 0 71 339.395 5

Activity (Go SEA)

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