UCSF

ZINC36145800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 4.93 11.76 -49.73 2 5 1 55 446.011 10
Hi High (pH 8-9.5) 4.93 9.49 -10.61 1 5 0 54 445.003 10

Activity (Go SEA)

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