UCSF

ZINC37080801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 0.23 2.01 -46.22 3 2 1 31 187.332 3
Lo Low (pH 4.5-6) 0.23 3.82 -122.8 4 2 2 32 188.34 3

Activity (Go SEA)

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