UCSF

ZINC43700014

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -1.23 3.84 -32.44 3 4 0 71 222.288 6
Mid Mid (pH 6-8) -1.23 5.26 -38.47 3 4 0 71 222.288 6
Lo Low (pH 4.5-6) -1.23 5.67 -80.5 4 4 1 72 223.296 6

Activity (Go SEA)

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