UCSF

ZINC06381492

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 No

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) 2.33 7.56 -55.92 0 9 -1 125 411.39 8
Mid Mid (pH 6-8) 2.33 0.65 -17.19 1 9 0 121 412.398 8
Mid Mid (pH 6-8) 1.75 0.5 -16 0 9 0 118 412.398 8

Activity (Go SEA)

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