UCSF

ZINC58826983

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 13 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) -0.11 1.19 -56.33 2 4 1 54 227.737 4
Mid Mid (pH 6-8) -0.11 -0.11 -11.79 1 4 0 49 226.729 4

Activity (Go SEA)

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