UCSF

ZINC37609114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 1.77 6.34 -42.53 3 3 1 45 232.282 4
Hi High (pH 8-9.5) 1.77 5.04 -7.04 2 3 0 41 231.274 4

Activity (Go SEA)

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