UCSF

ZINC34603416

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 0.57 8.11 -99.75 3 7 0 102 387.411 3
Hi High (pH 8-9.5) 0.57 7.92 -63.34 2 7 -1 101 386.403 3
Mid Mid (pH 6-8) 0.57 6.09 -57.29 4 7 1 99 388.419 3
Lo Low (pH 4.5-6) -2.18 6.21 -81.23 4 7 1 105 388.419 2

Activity (Go SEA)

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