UCSF

ZINC04720599

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 29 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) 5.39 12.95 -11.55 1 4 0 47 407.583 9
Mid Mid (pH 6-8) 5.39 13.36 -33.28 2 4 1 48 408.591 9

Activity (Go SEA)

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