UCSF

ZINC42961884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 1.72 3.98 -50.84 3 4 1 64 262.377 6
Lo Low (pH 4.5-6) 1.72 6.32 -139.73 4 4 2 65 263.385 6

Activity (Go SEA)

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