UCSF

ZINC35870232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 28 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) 2.72 10.58 -52.35 2 7 1 83 381.456 4
Mid Mid (pH 6-8) 2.72 8.16 -11.96 1 7 0 81 380.448 4

Activity (Go SEA)

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