UCSF

ZINC37796251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.94 5.4 -50.63 2 5 -1 89 276.312 6
Lo Low (pH 4.5-6) 1.94 3.41 -11.86 3 5 0 87 277.32 6

Activity (Go SEA)

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