UCSF

ZINC16677440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 29 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) 7.28 15.01 -9.88 0 3 0 34 398.531 3
Lo Low (pH 4.5-6) 7.28 14.01 -24.89 1 3 1 36 399.539 3
Lo Low (pH 4.5-6) 7.28 15.18 -23.66 1 3 1 36 399.539 3

Activity (Go SEA)

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