UCSF

ZINC20293701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 37 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) 1.58 5.22 -62.79 0 10 -1 110 509.535 8
Mid Mid (pH 6-8) 1.58 7.58 -74.78 1 10 0 111 510.543 8

Activity (Go SEA)

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