UCSF

ZINC35720649

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 2.60 6.96 -56.7 1 4 -1 69 252.334 4
Mid Mid (pH 6-8) 2.60 5.83 -10.65 2 4 0 66 253.342 4

Activity (Go SEA)

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