UCSF

ZINC20135181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 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) 2.62 7.3 -61.51 0 8 -1 91 479.553 9
Mid Mid (pH 6-8) 2.62 9.63 -74.03 1 8 0 93 480.561 9
Lo Low (pH 4.5-6) 2.62 8.82 -51.94 2 8 1 90 481.569 9

Activity (Go SEA)

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