UCSF

ZINC37835575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.54 5.76 -49.3 0 5 -1 84 209.225 4
Lo Low (pH 4.5-6) 0.54 3.77 -11.99 1 5 0 81 210.233 4

Activity (Go SEA)

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