UCSF

ZINC32014655

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) 1.95 3.93 -33.76 3 3 1 46 224.324 5
Hi High (pH 8-9.5) 1.95 2.43 -5.71 2 3 0 41 223.316 5

Activity (Go SEA)

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