UCSF

ZINC36320167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 2.42 7.45 -57.25 0 5 -1 67 273.312 3
Mid Mid (pH 6-8) 2.42 7.87 -53.07 1 5 0 68 274.32 3

Activity (Go SEA)

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