UCSF

ZINC35679927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 15 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) 0.20 3.59 -58.71 3 3 1 48 209.244 2
Hi High (pH 8-9.5) 0.20 3.3 -11.48 2 3 0 46 208.236 2

Activity (Go SEA)

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