UCSF

ZINC58300396

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 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) 4.49 10.03 -12.48 1 4 0 47 374.271 5
Mid Mid (pH 6-8) 4.49 10.53 -35.15 2 4 1 48 375.279 5

Activity (Go SEA)

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