UCSF

ZINC33756120

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 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) 4.71 10.97 -11.06 0 5 0 36 401.51 6
Lo Low (pH 4.5-6) 4.71 13.05 -39.74 1 5 1 37 402.518 6

Activity (Go SEA)

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