UCSF

ZINC35186249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.82 3.42 -49.07 0 5 -1 70 311.77 5
Lo Low (pH 4.5-6) 2.82 3 -12.95 1 5 0 68 312.778 5

Activity (Go SEA)

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