UCSF

ZINC37800789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.15 3.6 -52.05 3 5 1 66 237.327 4
Hi High (pH 8-9.5) 0.15 3.38 -12.65 2 5 0 64 236.319 4

Activity (Go SEA)

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