UCSF

ZINC32252131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.27 5.07 -10.57 1 4 0 55 251.336 3
Hi High (pH 8-9.5) 2.33 4.15 -40.88 0 4 -1 61 250.328 3

Activity (Go SEA)

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