UCSF

ZINC35024324

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 6.80 12.35 -53.32 1 3 -1 60 441.676 2
Lo Low (pH 4.5-6) 6.80 10.33 -5.22 2 3 0 58 442.684 2

Activity (Go SEA)

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