UCSF

ZINC34986592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.11 8.9 -35.3 1 1 1 4 224.274 2
Hi High (pH 8-9.5) 3.11 6.51 -3.28 0 1 0 3 223.266 2

Activity (Go SEA)

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