UCSF

ZINC20072450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.71 7.2 -100.2 4 4 2 51 294.439 8
Hi High (pH 8-9.5) 1.71 4.89 -48.07 3 4 1 49 293.431 8

Activity (Go SEA)

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