UCSF

ZINC37187183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.94 6.42 -7.32 1 2 0 25 260.337 2
Lo Low (pH 4.5-6) 2.94 6.98 -39.68 2 2 1 26 261.345 2

Activity (Go SEA)

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