UCSF

ZINC37792746

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) -1.90 2.74 -108.9 1 6 -2 109 185.135 4
Lo Low (pH 4.5-6) -1.90 1.58 -48.11 2 6 -1 107 186.143 4

Activity (Go SEA)

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