UCSF

ZINC74105504

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2012 25 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) 2.64 6.18 -13.68 2 5 0 57 343.471 8
Mid Mid (pH 6-8) 2.64 8.45 -50.08 3 5 1 59 344.479 8

Activity (Go SEA)

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