UCSF

ZINC34979704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.00 2.64 -48.76 4 4 1 60 228.703 3
Hi High (pH 8-9.5) 1.00 2.23 -8.37 3 4 0 58 227.695 3

Activity (Go SEA)

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