UCSF

ZINC28262264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 33 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) -0.02 9.4 -118.46 3 8 0 111 459.518 4
Mid Mid (pH 6-8) -2.76 6.02 -86.95 4 8 1 114 460.526 3

Activity (Go SEA)

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