UCSF

ZINC36296690

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) 0.50 2.25 -80.37 3 8 0 134 315.351 4
Mid Mid (pH 6-8) 0.50 1.27 -57.98 4 8 1 131 316.359 4

Activity (Go SEA)

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