UCSF

ZINC08973556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 33 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) 4.89 12.14 -51.23 0 8 -1 119 476.515 5
Mid Mid (pH 6-8) 5.34 11.08 -26.36 1 8 0 116 477.523 4

Activity (Go SEA)

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