UCSF

ZINC37134088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 1.87 3.79 -9.9 2 4 0 50 257.337 3
Lo Low (pH 4.5-6) 1.87 4.22 -35.42 3 4 1 51 258.345 3

Activity (Go SEA)

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