UCSF

ZINC57579346

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 19 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) 3.39 7.36 -4.34 2 3 0 42 255.365 2
Mid Mid (pH 6-8) 3.39 7.3 -31.66 3 3 1 43 256.373 2

Activity (Go SEA)

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