UCSF

ZINC01059119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 31 No

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) 3.62 10.47 -15.91 0 7 0 87 410.433 4
Lo Low (pH 4.5-6) 3.62 10.94 -42.94 1 7 1 88 411.441 4

Activity (Go SEA)

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