UCSF

ZINC32622067

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 35 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) 1.77 5.96 -22.34 2 9 0 115 477.517 8
Mid Mid (pH 6-8) 1.77 8.31 -61.31 3 9 1 117 478.525 8

Activity (Go SEA)

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