UCSF

ZINC35281070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 1.67 7.59 -57.76 0 4 -1 60 228.312 6
Lo Low (pH 4.5-6) 1.67 5.24 -6.07 1 4 0 58 229.32 6

Activity (Go SEA)

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