UCSF

ZINC32009495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.41 2.25 -46.65 4 2 1 48 198.261 3
Hi High (pH 8-9.5) 1.41 1.94 -4.07 3 2 0 46 197.253 3

Activity (Go SEA)

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