UCSF

ZINC43447016

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

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) 1.17 6.98 -38.4 1 4 1 44 223.296 6
Mid Mid (pH 6-8) 1.17 4.75 -9.08 0 4 0 42 222.288 6
Lo Low (pH 4.5-6) 1.17 5.47 -34.19 1 4 1 44 223.296 6

Activity (Go SEA)

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