UCSF

ZINC34976031

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 12 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) 2.48 2.57 -6.72 2 3 0 52 168.24 3
Lo Low (pH 4.5-6) 2.48 2.51 -26.57 3 3 1 53 169.248 3

Activity (Go SEA)

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