UCSF

ZINC35446748

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 23 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) 3.99 9.47 -45.09 2 4 1 42 314.453 4
Lo Low (pH 4.5-6) 3.99 9.97 -103.75 3 4 2 44 315.461 4

Activity (Go SEA)

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