UCSF

ZINC22310384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 35 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) 4.62 10.8 -49.72 0 7 -1 93 469.517 8
Lo Low (pH 4.5-6) 4.17 12.56 -14.69 1 7 0 90 470.525 8

Activity (Go SEA)

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