UCSF

ZINC32789231

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 29 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) 2.66 6.82 -26.47 2 7 0 85 397.475 8
Mid Mid (pH 6-8) 2.66 9.15 -62.79 3 7 1 86 398.483 8

Activity (Go SEA)

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