UCSF

ZINC29122735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 30 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) 2.42 6.99 -12.65 3 7 0 85 423.542 7
Lo Low (pH 4.5-6) 2.42 7.42 -38.31 4 7 1 87 424.55 7

Activity (Go SEA)

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