UCSF

ZINC42198685

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 24 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) 3.24 9.09 -8.26 1 4 0 45 335.329 3
Lo Low (pH 4.5-6) 3.24 9.56 -39.59 2 4 1 46 336.337 3

Activity (Go SEA)

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