UCSF

ZINC36196839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.30 7.73 -40.14 4 4 1 59 289.447 8
Hi High (pH 8-9.5) 3.30 5.88 -6.8 3 4 0 58 288.439 8
Lo Low (pH 4.5-6) 3.30 8.15 -99.84 5 4 2 60 290.455 8

Activity (Go SEA)

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