UCSF

ZINC32210689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 1.70 7.79 -47.11 3 4 1 49 309.455 7
Hi High (pH 8-9.5) 1.70 5.44 -16.45 2 4 0 48 308.447 7

Activity (Go SEA)

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