UCSF

ZINC04265697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 24 Yes

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) 3.76 11.29 -29.79 2 4 1 42 319.432 5
Lo Low (pH 4.5-6) 3.76 12.5 -84.97 3 4 2 43 320.44 5

Activity (Go SEA)

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