UCSF

ZINC32244553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 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) 2.39 6.37 -40.32 2 4 1 57 266.409 6
Hi High (pH 8-9.5) 2.39 4.34 -7.42 1 4 0 56 265.401 6

Activity (Go SEA)

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