UCSF

ZINC44620993

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -0.27 10.69 -38.82 1 5 0 62 273.336 6
Mid Mid (pH 6-8) -0.27 11.36 -68.08 2 5 1 64 274.344 6

Activity (Go SEA)

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