UCSF

ZINC09323380

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 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) 4.64 0.6 -19.24 0 6 0 64 433.533 6
Lo Low (pH 4.5-6) 4.64 0.71 -50.34 1 6 1 65 434.541 6

Activity (Go SEA)

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