UCSF

ZINC37158324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 12 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) 0.99 6.17 -42.28 2 3 1 34 168.264 5
Lo Low (pH 4.5-6) 0.99 6.69 -97.2 3 3 2 36 169.272 5

Activity (Go SEA)

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