UCSF

ZINC37786391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 3.61 6.16 -35.12 2 2 1 20 239.427 3
Lo Low (pH 4.5-6) 3.61 8.29 -100.11 3 2 2 21 240.435 3

Activity (Go SEA)

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