UCSF

ZINC45697005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.15 5.57 -30 1 4 0 48 230.352 8
Mid Mid (pH 6-8) 0.15 6.25 -54.62 1 4 0 48 230.352 8
Mid Mid (pH 6-8) 0.15 8.05 -69.39 2 4 1 49 231.36 8

Activity (Go SEA)

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