UCSF

ZINC37451097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) -3.28 -5 -102.72 2 8 -2 138 225.16 4
Lo Low (pH 4.5-6) -3.74 -3.15 -52.5 3 8 -1 135 226.168 4

Activity (Go SEA)

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