UCSF

ZINC32728772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 28 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) 2.77 7.03 -51.46 2 6 1 71 412.482 8
Mid Mid (pH 6-8) 2.77 4.5 -13.42 1 6 0 70 411.474 8

Activity (Go SEA)

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