UCSF

ZINC34968192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 0.66 1.85 -25.4 3 9 0 146 441.512 6
Mid Mid (pH 6-8) 0.66 1.88 -42.69 2 9 -1 148 440.504 6

Activity (Go SEA)

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