UCSF

ZINC36924150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 1.27 0.38 -37.17 0 5 -1 75 217.204 1
Mid Mid (pH 6-8) 0.82 3.06 -6.13 1 5 0 72 218.212 1

Activity (Go SEA)

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