UCSF

ZINC13127488

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 3.60 9.94 -13.03 3 6 0 78 400.28 3
Lo Low (pH 4.5-6) 3.60 10.45 -35.62 4 6 1 79 401.288 3

Activity (Go SEA)

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