UCSF

ZINC39373705

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 14 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) 2.81 3.9 -8.19 1 2 0 37 204.25 2
Hi High (pH 8-9.5) 2.81 4.67 -41.87 0 2 -1 40 203.242 2

Activity (Go SEA)

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