UCSF

ZINC35645096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.08 4.18 -49.37 2 5 0 78 305.403 6
Lo Low (pH 4.5-6) 2.08 4.64 -68.6 3 5 1 79 306.411 6

Activity (Go SEA)

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