UCSF

ZINC34671964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 1.40 7.41 -18.99 1 7 0 75 354.41 5
Lo Low (pH 4.5-6) 1.40 7.73 -46.7 2 7 1 76 355.418 5

Activity (Go SEA)

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