UCSF

ZINC35679825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) 1.90 4.77 -54.16 3 3 1 48 274.171 2
Hi High (pH 8-9.5) 1.90 4.49 -6.61 2 3 0 46 273.163 2

Activity (Go SEA)

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