UCSF

ZINC34681413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.21 6.72 -16.87 1 9 0 101 500.552 7
Lo Low (pH 4.5-6) 3.21 7.06 -46.73 2 9 1 102 501.56 7

Activity (Go SEA)

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