UCSF

ZINC61803926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 19 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) 3.34 9.36 -43.26 1 3 1 37 259.373 4
Hi High (pH 8-9.5) 3.34 7.05 -5.65 0 3 0 36 258.365 4

Activity (Go SEA)

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