UCSF

ZINC09423004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 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) 3.11 7.06 -13.19 0 6 0 65 400.434 4
Lo Low (pH 4.5-6) 3.11 1.04 -119.95 2 6 2 67 402.45 4

Activity (Go SEA)

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