UCSF

ZINC32005905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 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) -0.15 0.25 -40.33 3 3 1 46 160.237 4
Hi High (pH 8-9.5) -0.15 -1.32 -4.83 2 3 0 41 159.229 4

Activity (Go SEA)

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