UCSF

ZINC59700621

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 20 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) 3.19 7.38 -42.66 3 2 1 37 274.359 6
Hi High (pH 8-9.5) 3.19 6.36 -5.48 2 2 0 32 273.351 6

Activity (Go SEA)

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