UCSF

ZINC16478904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 21 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) 3.25 8.79 -50.97 1 4 -1 69 284.335 5
Lo Low (pH 4.5-6) 3.25 6.81 -14.43 2 4 0 66 285.343 5

Activity (Go SEA)

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