UCSF

ZINC09317710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 29 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) 4.53 1.63 -18.31 0 5 0 69 418.909 4
Lo Low (pH 4.5-6) 4.53 1.74 -54.2 1 5 1 71 419.917 4

Activity (Go SEA)

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