UCSF

ZINC34466195

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 6.98 12.07 -7.73 1 2 0 33 397.493 5
Lo Low (pH 4.5-6) 6.98 12.47 -25.96 2 2 1 34 398.501 5

Activity (Go SEA)

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