UCSF

ZINC35205026

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 0.63 -1.21 -54.44 2 5 -1 85 263.195 4
Lo Low (pH 4.5-6) 0.17 -0.64 -10.46 3 5 0 82 264.203 4

Activity (Go SEA)

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