UCSF

ZINC62802249

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 3.46 9.15 -44.53 2 2 1 29 263.364 4
Hi High (pH 8-9.5) 3.46 8.06 -6.61 1 2 0 25 262.356 4
Lo Low (pH 4.5-6) 3.46 9.58 -91.08 3 2 2 31 264.372 4

Activity (Go SEA)

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