UCSF

ZINC49878582

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 37 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) 5.20 9.76 -17.39 1 6 0 67 534.579 4
Mid Mid (pH 6-8) 5.20 9.65 -40.8 0 6 -1 69 533.571 4

Activity (Go SEA)

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