UCSF

ZINC42803393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 38 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) 4.14 7.98 -56.81 3 7 -1 127 531.71 8
Lo Low (pH 4.5-6) 4.14 6.04 -14.79 4 7 0 124 532.718 8

Activity (Go SEA)

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