UCSF

ZINC48303133

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 33 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) 3.45 13.18 -10.63 0 6 0 64 437.547 7
Lo Low (pH 4.5-6) 3.45 13.64 -37.48 1 6 1 65 438.555 7

Activity (Go SEA)

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