UCSF

ZINC17537333

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2008 29 No

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) 3.42 10.87 -21.87 1 7 0 95 401.459 6
Mid Mid (pH 6-8) 2.85 8.96 -13.75 1 7 0 98 401.459 5
Mid Mid (pH 6-8) 2.85 9.44 -22.96 1 7 0 98 401.459 5

Activity (Go SEA)

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