UCSF

ZINC35510662

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 25 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) 3.33 10.15 -12.42 0 5 0 61 330.343 3
Lo Low (pH 4.5-6) 3.33 10.62 -44.34 1 5 1 62 331.351 3

Activity (Go SEA)

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