UCSF

ZINC03912480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) 0.38 3.84 -5.38 3 7 0 110 197.198 3
Lo Low (pH 4.5-6) 0.38 4.08 -34.33 4 7 1 111 198.206 3
Lo Low (pH 4.5-6) 0.38 0.34 -29.5 4 7 1 111 198.206 3

Activity (Go SEA)

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