UCSF

ZINC36994237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.37 6.07 -37.76 2 4 1 48 260.361 4
Hi High (pH 8-9.5) 1.37 5.67 -8.5 1 4 0 43 259.353 4
Lo Low (pH 4.5-6) 1.37 6.23 -98.91 3 4 2 49 261.369 4

Activity (Go SEA)

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