UCSF

ZINC08854569

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 8.41 18.7 -9.86 1 2 0 29 454.598 5
Mid Mid (pH 6-8) 8.51 0.9 -28.85 2 2 1 29 455.606 5

Activity (Go SEA)

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