UCSF

ZINC32244791

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 27 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) 3.65 8.55 -40.95 3 5 1 63 376.565 9
Hi High (pH 8-9.5) 3.65 6.34 -8.67 2 5 0 61 375.557 9

Activity (Go SEA)

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