UCSF

ZINC35646996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 22 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) 5.17 10.35 -17.03 1 4 0 55 377.263 3
Mid Mid (pH 6-8) 5.17 9.67 -45.26 0 4 -1 57 376.255 3

Activity (Go SEA)

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