UCSF

ZINC35017521

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 4.62 6.74 -90.99 6 4 2 74 344.499 12
Hi High (pH 8-9.5) 4.62 7.48 -75.83 5 4 1 76 343.491 12

Activity (Go SEA)

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