UCSF

ZINC53127362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 1.92 2.07 -49.25 5 4 1 77 269.409 3
Mid Mid (pH 6-8) 1.92 1.81 -4.4 4 4 0 75 268.401 3

Activity (Go SEA)

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