UCSF

ZINC27758550

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 19 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) 2.09 6.43 -45.51 3 4 1 49 260.361 6
Hi High (pH 8-9.5) 2.09 4.2 -15.69 2 4 0 48 259.353 6

Activity (Go SEA)

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