UCSF

ZINC71785168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2011 27 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) 2.76 7.63 -15.55 0 5 0 49 378.501 4
Lo Low (pH 4.5-6) 2.76 9.84 -60.75 1 5 1 51 379.509 4

Activity (Go SEA)

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