UCSF

ZINC72173317

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2012 21 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) 2.21 8.46 -37.5 1 4 1 34 289.399 4
Hi High (pH 8-9.5) 2.21 5.98 -9.34 0 4 0 33 288.391 4

Activity (Go SEA)

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