UCSF

ZINC20150657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 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) 5.27 12.22 -16.55 1 6 0 76 434.536 7
Lo Low (pH 4.5-6) 5.27 13.19 -52.55 2 6 1 80 435.544 7

Activity (Go SEA)

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