UCSF

ZINC42191838

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 2.10 3.26 -41.41 1 5 -1 65 202.241 4
Lo Low (pH 4.5-6) 2.10 3.35 -7.99 2 5 0 66 203.249 4

Activity (Go SEA)

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