UCSF

ZINC36189991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.86 5.88 -82.23 3 3 2 24 241.423 4
Hi High (pH 8-9.5) 1.86 3.64 -35.77 2 3 1 23 240.415 4
Lo Low (pH 4.5-6) 1.86 5.91 -106.76 3 3 2 24 241.423 4

Activity (Go SEA)

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