UCSF

ZINC35135318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 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) 1.79 6.32 -46.88 1 4 -1 69 254.693 5
Lo Low (pH 4.5-6) 1.79 4.36 -9.95 2 4 0 66 255.701 5

Activity (Go SEA)

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