UCSF

ZINC45644161

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 3.03 4.6 -9.36 1 5 0 45 376.32 6
Lo Low (pH 4.5-6) 3.03 6.81 -48.51 2 5 1 46 377.328 6

Activity (Go SEA)

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