UCSF

ZINC17249046

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 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) 0.70 14.17 -63.94 1 11 1 132 352.375 10
Mid Mid (pH 6-8) 0.70 14.64 -121.42 2 11 2 133 353.383 10
Mid Mid (pH 6-8) 0.70 14.65 -106.23 2 11 2 133 353.383 10
Mid Mid (pH 6-8) 0.70 15.12 -172.21 3 11 3 134 354.391 10

Activity (Go SEA)

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