UCSF

ZINC13597544

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 28 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) 5.00 11.87 -9.99 1 4 0 47 389.886 5
Lo Low (pH 4.5-6) 5.00 12.57 -35.37 2 4 1 48 390.894 5

Activity (Go SEA)

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