UCSF

ZINC27639771

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) 3.17 10.11 -51.89 1 5 -1 94 351.463 13
Lo Low (pH 4.5-6) 3.17 8.13 -13.03 2 5 0 92 352.471 13

Activity (Go SEA)

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