UCSF

ZINC34682852

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 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) 2.77 9.7 -59.24 1 5 1 43 375.514 6
Hi High (pH 8-9.5) 2.77 7.4 -12.76 0 5 0 42 374.506 6

Activity (Go SEA)

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