UCSF

ZINC09317689

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 30 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) 3.90 1.92 -16.63 0 6 0 79 414.49 5
Lo Low (pH 4.5-6) 3.90 2.03 -46.1 1 6 1 80 415.498 5

Activity (Go SEA)

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