UCSF

ZINC03912478

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) 0.58 3.8 -5.29 3 7 0 110 197.198 4
Lo Low (pH 4.5-6) 0.58 4.04 -35.4 4 7 1 111 198.206 4
Lo Low (pH 4.5-6) 0.58 0.28 -29.78 4 7 1 111 198.206 4

Activity (Go SEA)

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