UCSF

ZINC32009509

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) 1.68 3.56 -41.69 3 2 1 37 198.261 4
Hi High (pH 8-9.5) 1.68 2.07 -5.93 2 2 0 32 197.253 4

Activity (Go SEA)

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