UCSF

ZINC36237545

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.92 7.02 -56.04 0 6 -1 76 329.719 2
Mid Mid (pH 6-8) 2.92 7.48 -44.64 1 6 0 77 330.727 2

Activity (Go SEA)

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