UCSF

ZINC10157318

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 17 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) 3.53 7.37 -11.33 0 3 0 33 230.311 3
Mid Mid (pH 6-8) 3.02 5.51 -7.11 1 3 0 38 230.311 3

Activity (Go SEA)

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