UCSF

ZINC45318970

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 29 Yes

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) 4.95 10.99 -12.92 2 5 0 59 408.571 9
Lo Low (pH 4.5-6) 4.95 11.51 -33.12 3 5 1 60 409.579 9

Activity (Go SEA)

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