UCSF

ZINC13406347

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 18 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) 4.63 10.53 -7.13 0 1 0 12 231.298 2
Lo Low (pH 4.5-6) 4.63 9.62 -32.2 1 1 1 14 232.306 2
Lo Low (pH 4.5-6) 4.63 10.59 -27.74 1 1 1 14 232.306 2

Activity (Go SEA)

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