UCSF

ZINC13510136

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 3.38 7.3 -20.07 1 8 0 80 439.541 7
Lo Low (pH 4.5-6) 3.38 9.44 -57.9 2 8 1 81 440.549 7

Activity (Go SEA)

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