UCSF

ZINC16492936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 30 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) 6.03 12.03 -10.76 0 4 0 38 395.506 4
Mid Mid (pH 6-8) 6.03 14.3 -42.53 1 4 1 39 396.514 4

Activity (Go SEA)

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