UCSF

ZINC01543152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 26 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) 2.92 11.99 -16.14 0 8 0 88 429.315 10
Mid Mid (pH 6-8) 2.92 12.48 -52.21 1 8 1 89 430.323 10

Activity (Go SEA)

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