UCSF

ZINC31946060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 1.54 5.25 -9.94 0 3 0 24 270.735 3
Mid Mid (pH 6-8) 1.54 7.57 -52.64 1 3 1 25 271.743 3

Activity (Go SEA)

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