UCSF

ZINC37817732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.14 6.46 -7.1 1 3 0 32 258.365 4
Lo Low (pH 4.5-6) 2.14 7.74 -36.38 2 3 1 37 259.373 4

Activity (Go SEA)

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