UCSF

ZINC20650133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 30 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) 3.30 4.66 -12.54 1 7 0 81 474.307 3
Mid Mid (pH 6-8) 3.30 5.29 -42.64 0 7 -1 84 473.299 3

Activity (Go SEA)

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