UCSF

ZINC58168589

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 26 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) 3.82 9.22 -45.7 3 5 1 55 362.538 8
Mid Mid (pH 6-8) 3.19 11.14 -11.17 0 5 0 41 372.472 5

Activity (Go SEA)

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