UCSF

ZINC09408654

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 32 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) 3.53 -2.11 -19.78 1 6 0 83 461.568 2
Lo Low (pH 4.5-6) 3.53 -1.99 -45.73 2 6 1 84 462.576 2

Activity (Go SEA)

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