UCSF

ZINC32138227

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 26 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) 0.34 0.09 -58.93 3 10 -1 149 388.337 6
Lo Low (pH 4.5-6) 0.34 1.24 -67.44 4 10 0 150 389.345 6

Activity (Go SEA)

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