UCSF

ZINC35282205

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 3.79 10.7 -59.67 0 4 -1 60 284.42 10
Lo Low (pH 4.5-6) 3.79 8.87 -10.69 1 4 0 58 285.428 10

Activity (Go SEA)

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