UCSF

ZINC58281900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 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) 2.96 9.93 -11.85 0 5 0 47 337.423 6
Mid Mid (pH 6-8) 2.96 10.82 -34.53 1 5 1 49 338.431 6

Activity (Go SEA)

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