UCSF

ZINC25510062

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) 2.64 4.11 -50.32 1 5 -1 77 341.771 4
Mid Mid (pH 6-8) 2.64 4.04 -14.17 2 5 0 75 342.779 4

Activity (Go SEA)

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