UCSF

ZINC39234681

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 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) 0.14 3.68 -93.53 4 4 1 73 193.226 2
Hi High (pH 8-9.5) 0.14 2.37 -56.16 3 4 0 69 192.218 2

Activity (Go SEA)

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