UCSF

ZINC16639543

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 23 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) 5.65 9.49 -50.74 0 3 -1 52 304.369 4
Mid Mid (pH 6-8) 5.65 8.62 -9.15 1 3 0 50 305.377 4

Activity (Go SEA)

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