UCSF

ZINC13555771

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 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) 2.62 4.07 -10.99 2 6 0 88 313.357 2
Lo Low (pH 4.5-6) 2.62 4.36 -41.38 3 6 1 89 314.365 2

Activity (Go SEA)

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