UCSF

ZINC26508151

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 4.01 6.17 -10.4 2 4 0 62 271.707 2
Hi High (pH 8-9.5) 4.01 6.93 -51.06 1 4 -1 65 270.699 2

Activity (Go SEA)

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