UCSF

ZINC28011562

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 16 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) -1.46 0.22 -41.76 4 7 0 123 232.236 8
Hi High (pH 8-9.5) -1.46 -0.12 -45.13 3 7 -1 122 231.228 8

Activity (Go SEA)

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