UCSF

ZINC59533764

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 29 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) 3.00 4.06 -44.06 0 8 -1 103 507.26 5
Mid Mid (pH 6-8) 2.55 6.71 -11.73 1 8 0 100 508.268 5

Activity (Go SEA)

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