UCSF

ZINC01307578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 29 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) 2.90 8.08 -44.36 0 7 -1 86 411.459 5
Lo Low (pH 4.5-6) 2.44 9.16 -12.73 1 7 0 83 412.467 5

Activity (Go SEA)

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