UCSF

ZINC37461317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 11 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) 0.14 2.71 -48.03 1 4 -1 69 156.161 3
Lo Low (pH 4.5-6) 0.14 0.71 -8.98 2 4 0 66 157.169 3

Activity (Go SEA)

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