UCSF

ZINC33886805

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 3.25 8 -100.34 0 8 -2 124 420.421 7
Lo Low (pH 4.5-6) 2.79 10.44 -51.26 1 8 -1 121 421.429 7

Activity (Go SEA)

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