UCSF

ZINC44676074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 16 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) 2.26 7.46 -111.32 4 2 2 33 220.36 6
Mid Mid (pH 6-8) 2.26 6.15 -34.81 3 2 1 29 219.352 6
Mid Mid (pH 6-8) 2.26 6.27 -34.81 3 2 1 29 219.352 6

Activity (Go SEA)

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