UCSF

ZINC20512786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.67 3.99 -36.94 2 4 1 37 265.377 5
Mid Mid (pH 6-8) 1.67 1.62 -6.22 1 4 0 36 264.369 5

Activity (Go SEA)

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