UCSF

ZINC58638456

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 11 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) -1.11 2.52 -238.38 0 6 -3 113 181.06 4
Mid Mid (pH 6-8) -1.11 1.36 -119.18 1 6 -2 110 182.068 4

Activity (Go SEA)

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