UCSF

ZINC38241429

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 5.43 11.99 -58.42 0 6 -1 79 482.984 10
Lo Low (pH 4.5-6) 5.43 11.22 -13.15 1 6 0 76 483.992 10

Activity (Go SEA)

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