UCSF

ZINC19837018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 2.80 4.28 -12.57 1 3 0 41 227.691 3
Mid Mid (pH 6-8) 2.80 5.1 -49.06 0 3 -1 43 226.683 3

Activity (Go SEA)

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