UCSF

ZINC32642109

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 30 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) 5.60 12.58 -57.16 0 3 -1 53 418.341 2
Mid Mid (pH 6-8) 5.60 12.72 -45.03 1 3 0 54 419.349 2

Activity (Go SEA)

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