UCSF

ZINC41675557

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.73 5.79 -17.33 1 4 0 55 267.741 3
Mid Mid (pH 6-8) 1.92 4.58 -46.31 0 4 -1 61 266.733 3

Activity (Go SEA)

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