UCSF

ZINC35128323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 0.64 2.76 -44.7 3 6 1 79 261.305 4
Mid Mid (pH 6-8) 1.10 0.98 -64.67 2 6 0 82 260.297 4

Activity (Go SEA)

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