UCSF

ZINC01121116

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 28 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) 2.68 8.44 -57.62 0 6 -1 87 380.351 5
Mid Mid (pH 6-8) 2.09 1.86 -20.25 0 6 0 80 381.359 5

Activity (Go SEA)

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