UCSF

ZINC20114560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 No

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) 1.49 6.72 -11.54 1 5 0 71 316.411 2
Mid Mid (pH 6-8) 1.49 6.61 -107.26 3 5 2 74 318.427 2

Activity (Go SEA)

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