UCSF

ZINC33727303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 3.85 10.5 -59.25 0 7 -1 95 456.503 5
Lo Low (pH 4.5-6) 3.85 9.21 -23.77 1 7 0 93 457.511 5

Activity (Go SEA)

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