UCSF

ZINC53312654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 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) 3.36 6.03 -9.28 1 3 0 50 272.687 1
Hi High (pH 8-9.5) 3.36 6.78 -45.44 0 3 -1 53 271.679 1

Activity (Go SEA)

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