UCSF

ZINC36326711

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.09 3.77 -30.63 4 4 1 64 234.323 3
Hi High (pH 8-9.5) 1.09 4.79 -6.92 3 4 0 62 233.315 3

Activity (Go SEA)

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