UCSF

ZINC02378357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 19 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) 3.73 10.41 -51.83 0 3 -1 57 259.325 4
Lo Low (pH 4.5-6) 3.73 7.98 -8.1 1 3 0 54 260.333 4

Activity (Go SEA)

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