UCSF

ZINC13785971

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 34 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) 4.05 9.13 -106.29 0 8 -2 124 454.438 6
Lo Low (pH 4.5-6) 3.60 11.59 -57.77 1 8 -1 121 455.446 6

Activity (Go SEA)

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