UCSF

ZINC20486547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 17 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 6.43 -42.07 2 3 1 37 251.375 4
Mid Mid (pH 6-8) 1.58 5.07 -8.28 1 3 0 32 250.367 4

Activity (Go SEA)

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