UCSF

ZINC34118498

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 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) 3.12 7.66 -11.62 0 4 0 41 374.79 3
Mid Mid (pH 6-8) 3.12 10.09 -52.17 1 4 1 42 375.798 3

Activity (Go SEA)

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