UCSF

ZINC26389043

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 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) 2.72 8.96 -51.77 1 7 1 64 370.514 5
Mid Mid (pH 6-8) 2.72 6.77 -9.97 0 7 0 62 369.506 5

Activity (Go SEA)

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