UCSF

ZINC34617208

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 34 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) 5.09 12.86 -45.66 0 8 -1 97 451.51 8
Lo Low (pH 4.5-6) 5.09 12.96 -14.95 1 8 0 99 452.518 8

Activity (Go SEA)

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