UCSF

ZINC32014491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 2.53 4.89 -42.97 3 2 1 37 224.299 5
Hi High (pH 8-9.5) 2.53 3.46 -3.89 2 2 0 32 223.291 5

Activity (Go SEA)

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