UCSF

ZINC20819460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 19 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) 1.45 5.12 -42.13 2 4 1 37 262.377 4
Mid Mid (pH 6-8) 1.45 5 -44.1 2 4 1 37 262.377 4
Mid Mid (pH 6-8) 1.45 2.66 -9.73 1 4 0 36 261.369 4

Activity (Go SEA)

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