UCSF

ZINC18125323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 23 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) 2.72 3.86 -41.42 0 5 -1 65 307.329 2
Ref Reference (pH 7) 2.72 4.05 -45.44 0 5 -1 65 307.329 2
Lo Low (pH 4.5-6) 2.54 6.39 -7.83 1 5 0 59 308.337 2

Activity (Go SEA)

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