UCSF

ZINC33175546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2009 28 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) 0.21 7.92 -25.53 1 7 0 83 380.448 7
Lo Low (pH 4.5-6) 0.21 8.36 -59.71 2 7 1 84 381.456 7

Activity (Go SEA)

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