UCSF

ZINC03881162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 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) 3.00 -1.26 -8.33 2 4 0 65 236.296 4
Lo Low (pH 4.5-6) 3.00 -1.2 -34.27 3 4 1 66 237.304 4

Activity (Go SEA)

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