UCSF

ZINC22238491

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 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) 2.67 6.11 -43.22 0 8 -1 111 393.375 6
Lo Low (pH 4.5-6) 2.21 7.88 -12.5 1 8 0 107 394.383 6

Activity (Go SEA)

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