UCSF

ZINC16160709

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 30 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) 5.17 9.48 -13.51 1 5 0 63 396.425 3
Lo Low (pH 4.5-6) 5.17 9.89 -29.52 2 5 1 65 397.433 3

Activity (Go SEA)

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