UCSF

ZINC02644494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 32 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) 3.08 5.78 -50.57 1 9 -1 125 468.54 7
Mid Mid (pH 6-8) 4.00 6.34 -19.15 2 9 0 126 469.548 6

Activity (Go SEA)

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