UCSF

ZINC34980637

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.44 6.32 -11.76 1 4 0 63 260.318 4
Hi High (pH 8-9.5) 2.90 4.58 -44.39 0 4 -1 66 259.31 4
Mid Mid (pH 6-8) 2.44 5.98 -18.49 1 4 0 63 260.318 4

Activity (Go SEA)

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