UCSF

ZINC55060779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 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) 3.07 6.93 -8.64 1 3 0 33 359.466 6
Mid Mid (pH 6-8) 3.07 9.13 -46.73 2 3 1 34 360.474 6

Activity (Go SEA)

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