UCSF

ZINC20719779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 16 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) 1.43 1.73 -11.93 2 4 0 61 213.24 1
Ref Reference (pH 7) 1.25 4.39 -12.11 2 4 0 58 213.24 1
Mid Mid (pH 6-8) 1.25 4.41 -9.06 2 4 0 58 213.24 1
Mid Mid (pH 6-8) 1.43 1.74 -8.07 2 4 0 61 213.24 1

Activity (Go SEA)

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