UCSF

ZINC37338582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.11 5.06 -8.64 0 4 0 34 236.315 4
Lo Low (pH 4.5-6) 1.11 7.27 -36.34 1 4 1 36 237.323 4

Activity (Go SEA)

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