UCSF

ZINC31166143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 23 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) 4.35 8.39 -43.96 1 3 -1 60 321.481 6
Lo Low (pH 4.5-6) 4.35 6.61 -5.83 2 3 0 58 322.489 6

Activity (Go SEA)

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