UCSF

ZINC21806331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.44 2.17 -11.72 0 8 0 113 315.282 4
Lo Low (pH 4.5-6) 1.44 3.36 -56.36 1 8 1 114 316.29 4

Activity (Go SEA)

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