UCSF

ZINC14252875

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 21 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) 1.96 4.25 -11.57 0 7 0 86 313.379 5
Mid Mid (pH 6-8) 1.96 6.46 -49.45 1 7 1 88 314.387 5

Activity (Go SEA)

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