UCSF

ZINC19848435

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 35 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) 5.88 10.28 -9.18 0 6 0 50 480.49 6
Mid Mid (pH 6-8) 5.88 11.56 -50.15 1 6 1 51 481.498 6

Activity (Go SEA)

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