UCSF

ZINC14292661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 15 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) -0.74 0.59 -8.45 1 5 0 59 212.249 3
Mid Mid (pH 6-8) -0.74 1.88 -47.93 2 5 1 63 213.257 3
Mid Mid (pH 6-8) -0.74 0.7 -8.44 1 5 0 59 212.249 3

Activity (Go SEA)

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