UCSF

ZINC35420390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 37 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) 4.19 13.86 -72.76 1 8 0 91 504.631 12
Lo Low (pH 4.5-6) 4.19 13.11 -50.1 2 8 1 89 505.639 12

Activity (Go SEA)

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