UCSF

ZINC45623979

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) 1.31 6.3 -10.72 2 4 0 59 346.228 4
Lo Low (pH 4.5-6) 1.31 6.59 -41.55 3 4 1 60 347.236 4

Activity (Go SEA)

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