UCSF

ZINC19802878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) -2.21 -2.11 -100.65 1 8 -2 129 225.16 3
Mid Mid (pH 6-8) -2.67 -1.02 -48.69 2 8 -1 126 226.168 3

Activity (Go SEA)

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