UCSF

ZINC34937059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.31 3.05 -36.34 2 4 1 46 229.344 4
Hi High (pH 8-9.5) 1.31 2.13 -8.72 1 4 0 42 228.336 4

Activity (Go SEA)

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