UCSF

ZINC04558854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 14 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) 3.14 5.4 -4.37 1 3 0 39 191.278 4
Lo Low (pH 4.5-6) 3.14 5.48 -29.72 2 3 0 41 192.286 4

Activity (Go SEA)

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