UCSF

ZINC03871048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 22 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) -0.89 -11.99 -55.34 7 9 1 146 327.39 5
Lo Low (pH 4.5-6) -4.21 -11.85 -85.94 8 9 2 148 328.398 5

Activity (Go SEA)

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