UCSF

ZINC32195243

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 9 No

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) 0.21 5.33 -13.73 0 2 0 34 124.139 4
Hi High (pH 8-9.5) 0.96 3.72 -52.07 0 2 -1 40 123.131 3

Activity (Go SEA)

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