UCSF

ZINC09241845

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 4.09 -1.82 -17.01 0 6 0 64 482.359 4
Lo Low (pH 4.5-6) 4.09 -1.7 -54.27 1 6 1 65 483.367 4

Activity (Go SEA)

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