UCSF

ZINC19313032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 24 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) -0.19 10.64 -51.11 1 7 1 77 341.428 8
Mid Mid (pH 6-8) -0.19 7.38 -5.26 0 7 0 76 340.42 8

Activity (Go SEA)

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