UCSF

ZINC58824905

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 12 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) 0.62 4.49 -44.27 0 3 -1 57 167.184 2
Lo Low (pH 4.5-6) 0.03 4.48 -10.64 0 3 0 51 168.192 3

Activity (Go SEA)

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