UCSF

ZINC28819224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 35 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) 2.64 10.18 -66.96 1 8 -1 104 482.463 8
Mid Mid (pH 6-8) -0.10 9.22 -32.59 2 8 0 107 483.471 7

Activity (Go SEA)

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