UCSF

ZINC35023440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 3.96 11.81 -71.14 1 6 0 74 462.571 9
Lo Low (pH 4.5-6) 3.96 11.06 -49.32 2 6 1 71 463.579 9

Activity (Go SEA)

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