UCSF

ZINC44225213

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.98 10.13 -134.89 0 4 -2 80 272.281 4
Lo Low (pH 4.5-6) 2.98 8.14 -59.86 1 4 -1 77 273.289 4

Activity (Go SEA)

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