UCSF

ZINC20645829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 18 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) 1.69 6.35 -34.94 1 4 0 45 281.406 3
Mid Mid (pH 6-8) 1.23 7.7 -33.54 2 4 1 42 282.414 3

Activity (Go SEA)

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