UCSF

ZINC61820066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 0.44 6 -45.09 3 4 1 51 272.438 5
Hi High (pH 8-9.5) 0.44 3.8 -13.63 2 4 0 50 271.43 5

Activity (Go SEA)

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