UCSF

ZINC59479712

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 18 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) -0.04 2.57 -49.11 3 6 1 77 250.278 4
Hi High (pH 8-9.5) -0.04 2.18 -12.57 2 6 0 76 249.27 4

Activity (Go SEA)

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