UCSF

ZINC49723300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 40 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) 5.92 13.04 -14.83 0 7 0 76 617.569 5
Mid Mid (pH 6-8) 5.92 15.01 -50.79 1 7 1 77 618.577 5

Activity (Go SEA)

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