UCSF

ZINC44680934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) -0.72 7.22 -80.16 3 7 1 81 297.379 4
Mid Mid (pH 6-8) -0.72 5.09 -65.03 2 7 0 80 296.371 4

Activity (Go SEA)

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