UCSF

ZINC28455368

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 43 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) 7.87 18.64 -46.41 0 12 -1 152 601.043 14
Lo Low (pH 4.5-6) 7.87 18.72 -17.58 1 12 0 154 602.051 14

Activity (Go SEA)

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