UCSF

ZINC32525103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 0.80 1.96 -61.2 2 9 1 114 420.533 8
Hi High (pH 8-9.5) 0.80 -0.58 -23.98 1 9 0 113 419.525 8

Activity (Go SEA)

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