UCSF

ZINC34983279

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.69 4.83 -6.31 2 2 0 28 299.599 0
Lo Low (pH 4.5-6) 3.69 6.18 -44.11 3 2 1 32 300.607 0

Activity (Go SEA)

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