UCSF

ZINC05176138

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 31 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) 4.51 7.56 -10.27 3 6 0 97 408.461 4
Lo Low (pH 4.5-6) 4.51 7.88 -59.79 4 6 1 99 409.469 4

Activity (Go SEA)

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