UCSF

ZINC39379064

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 22 No

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) 3.68 5.26 -47.88 0 5 -1 71 292.27 1
Mid Mid (pH 6-8) 3.68 4.38 -11.04 1 5 0 68 293.278 1

Activity (Go SEA)

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