UCSF

ZINC34592937

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 4.04 7.65 -12.43 1 5 0 64 344.798 6
Hi High (pH 8-9.5) 4.50 5.82 -52.11 0 5 -1 67 343.79 6

Activity (Go SEA)

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