UCSF

ZINC23068994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.31 1.36 -4.15 2 5 0 57 270.373 1
Lo Low (pH 4.5-6) 0.31 3.02 -32.13 3 5 1 58 271.381 1
Lo Low (pH 4.5-6) 0.31 3.31 -125.14 4 5 2 60 272.389 1

Activity (Go SEA)

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