UCSF

ZINC12231582

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 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) 1.14 0.16 -16.33 2 10 0 123 373.417 6
Mid Mid (pH 6-8) 1.14 0.32 -36.6 3 10 1 124 374.425 6

Activity (Go SEA)

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