UCSF

ZINC37300002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 No

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 5.51 -65.86 3 6 1 96 260.273 5
Hi High (pH 8-9.5) 1.37 5.1 -12.88 2 6 0 94 259.265 5
Lo Low (pH 4.5-6) 1.37 5.97 -100.53 4 6 2 97 261.281 5

Activity (Go SEA)

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