UCSF

ZINC33293856

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 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) 5.32 12.69 -51.94 0 7 -1 93 439.513 9
Lo Low (pH 4.5-6) 1.09 12.99 -66.27 1 7 0 92 440.521 10

Activity (Go SEA)

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