UCSF

ZINC49878580

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 9.19 -18.24 1 6 0 67 534.579 4
Mid Mid (pH 6-8) 5.20 8.8 -45.61 0 6 -1 69 533.571 4

Activity (Go SEA)

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