UCSF

ZINC41191994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 2.05 5.14 -6.38 1 3 0 38 259.378 4
Mid Mid (pH 6-8) 2.05 6.26 -37.71 2 3 1 42 260.386 4

Activity (Go SEA)

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