UCSF

ZINC17094368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2008 27 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) 2.89 9.03 -13.33 1 5 0 41 425.385 8
Lo Low (pH 4.5-6) 2.89 11.62 -109.91 3 5 2 43 427.401 8

Activity (Go SEA)

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