UCSF

ZINC20435030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 Yes

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) 2.23 4.72 -40.46 2 3 1 28 255.769 3
Mid Mid (pH 6-8) 2.23 2.34 -5.19 1 3 0 27 254.761 3

Activity (Go SEA)

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